2-[4-(2-fluorophenyl)piperazine-1-carbonyl]aniline

2-[4-(2-fluorophenyl)piperazine-1-carbonyl]aniline

CAS: 1018243-43-0

Formula: C17H18FN3O

SMILES: NC1=C(C=CC=C1)C(=O)N1CCN(CC1)C1=C(F)C=CC=C1

IUPAC: 2-[4-(2-fluorophenyl)piperazine-1-carbonyl]aniline

InChI: InChI=1S/C17H18FN3O/c18-14-6-2-4-8-16(14)20-9-11-21(12-10-20)17(22)13-5-1-3-7-15(13)19/h1-8H,9-12,19H2

Composition: C (68.21%), H (6.06%), F (6.35%), N (14.04%), O (5.34%)

Molar Mass: 299.349

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	299.143390375
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QZMXLEGJPDLSJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.4
Topological Polar Surface Area	49.57
Polarizability	31.33
Ring Count	3
Rotatable Bond Count	2

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