(2R)-2-[(5-fluoro-2,4-dinitrophenyl)amino]-4-methylpentanamide

(2R)-2-[(5-fluoro-2,4-dinitrophenyl)amino]-4-methylpentanamide

CAS: 178065-30-0

Formula: C12H15FN4O5

SMILES: CC(C)C[C@@H](NC1=CC(F)=C(C=C1[N+]([O-])=O)[N+]([O-])=O)C(N)=O

IUPAC: (2R)-2-[(5-fluoro-2,4-dinitrophenyl)amino]-4-methylpentanamide

InChI: InChI=1S/C12H15FN4O5/c1-6(2)3-9(12(14)18)15-8-4-7(13)10(16(19)20)5-11(8)17(21)22/h4-6,9,15H,3H2,1-2H3,(H2,14,18)/t9-/m1/s1

Composition: C (45.86%), H (4.81%), F (6.05%), N (17.83%), O (25.45%)

Molar Mass: 314.273

Atom Count: 37

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	314.102647762
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	WCOZOJGXDVGGIK-SECBINFHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.18
Topological Polar Surface Area	141.4
Polarizability	27.43
Ring Count	1
Rotatable Bond Count	7

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