N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide

C23H15ClF2N2O2 — CID 71208128

IUPACN-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H15ClF2N2O2/c24-15-6-7-18-20(10-15)27-12-19(22(18)29)21(13-4-2-1-3-5-13)28-23(30)14-8-16(25)11-17(26)9-14/h1-12,21H,(H,27,29)(H,28,30)
InChIKeyBPYCTEDQFMJJRO-UHFFFAOYSA-N
MW424.83 g/mol
LogP4.98
Rot. Bonds4

About N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide

N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide (PubChem CID 71208128) has the molecular formula C23H15ClF2N2O2 and a molecular weight of 424.83 g/mol. Its IUPAC name is N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide.

Molecular Properties

Compound NameN-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide
PubChem CID71208128
Molecular FormulaC23H15ClF2N2O2
Molecular Weight424.83 g/mol
Exact Mass424.08
IUPAC NameN-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide
SMILESO=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)c1cc(F)cc(F)c1
InChIInChI=1S/C23H15ClF2N2O2/c24-15-6-7-18-20(10-15)27-12-19(22(18)29)21(13-4-2-1-3-5-13)28-23(30)14-8-16(25)11-17(26)9-14/h1-12,21H,(H,27,29)(H,28,30)
InChIKeyBPYCTEDQFMJJRO-UHFFFAOYSA-N
XLogP4.98
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.83
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 71208528
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyrrolidine-1-carboxamide
CID 123871770
piperidin-1-yl N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597279
6-(4-aminopiperidin-1-yl)-N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]pyridine-3-carboxamide
CID 123500701
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-2-piperidin-1-yl-1,3-thiazole-5-carboxamide
CID 123327721
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-6-(4-methylsulfonylpiperidin-1-yl)pyridine-3-carboxamide
CID 123588831
methyl 4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexane-1-carboxylate
CID 71208737
(1-methylpyrazol-4-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597244
tert-butyl N-[4-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoylamino]cyclohexyl]carbamate
CID 71208469
tert-butyl 3-[[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 71208614
(2-morpholin-4-yl-1,3-thiazol-5-yl) N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]carbamate
CID 118597198
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide?
The IUPAC name of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide (CID 71208128) is N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide.
What is the SMILES notation for N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide?
The canonical SMILES for N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide is O=C(NC(c1ccccc1)c1c[nH]c2cc(Cl)ccc2c1=O)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide?
The InChIKey is BPYCTEDQFMJJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF2N2O2/c24-15-6-7-18-20(10-15)27-12-19(22(18)29)21(13-4-2-1-3-5-13)28-23(30)14-8-16(25)11-17(26)9-14/h1-12,21H,(H,27,29)(H,28,30).
What are the key properties of N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide?
N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide has a molecular weight of 424.83 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-4-oxo-1H-quinolin-3-yl)-phenylmethyl]-3,5-difluorobenzamide is sourced from PubChem (CID 71208128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).