4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide

C21H16ClFN2O2 — CID 978938

IUPAC4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
SMILESO=C(N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2O2/c22-16-12-10-15(11-13-16)21(27)25-20(19(26)14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)23/h1-13,20,24H,(H,25,27)/t20-/m1/s1
InChIKeyCCMXJYDQPCBJRQ-HXUWFJFHSA-N
MW382.82 g/mol
LogP4.53
Rot. Bonds6

About 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide

4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide (PubChem CID 978938) has the molecular formula C21H16ClFN2O2 and a molecular weight of 382.82 g/mol. Its IUPAC name is 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
PubChem CID978938
Molecular FormulaC21H16ClFN2O2
Molecular Weight382.82 g/mol
Exact Mass382.09
IUPAC Name4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide
SMILESO=C(N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H16ClFN2O2/c22-16-12-10-15(11-13-16)21(27)25-20(19(26)14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)23/h1-13,20,24H,(H,25,27)/t20-/m1/s1
InChIKeyCCMXJYDQPCBJRQ-HXUWFJFHSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.82
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl N-[1-(2-fluoroanilino)-2-oxo-2-phenylethyl]carbamate
CID 4084181
4-chloro-N-(1-chloro-2-oxo-2-phenylethyl)benzamide
CID 15497672
N-[(1S)-1-(2-methylanilino)-2-oxo-2-phenylethyl]benzamide
CID 765686
N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379486
N-[(1S)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379485
N-(1-benzamido-2-oxo-2-phenylethyl)benzamide
CID 1101094
N-[(1S)-1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 1085147
N-[1-(2-methoxyanilino)-2-oxo-2-phenylethyl]benzamide
CID 3154287
N-[(1R)-1-(2,5-dimethylanilino)-2-oxo-2-phenylethyl]benzamide
CID 34056194
N-[(1R)-1-(2,4-dimethylanilino)-2-oxo-2-phenylethyl]benzamide
CID 1089488
2-(4-chlorophenyl)-2-(2-fluoroanilino)acetic acid
CID 2757785
4-methyl-N-[(1R)-2,2,2-trichloro-1-(2-fluoroanilino)ethyl]benzamide
CID 1379540

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide?
The IUPAC name of 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide (CID 978938) is 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide is O=C(N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide?
The InChIKey is CCMXJYDQPCBJRQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H16ClFN2O2/c22-16-12-10-15(11-13-16)21(27)25-20(19(26)14-6-2-1-3-7-14)24-18-9-5-4-8-17(18)23/h1-13,20,24H,(H,25,27)/t20-/m1/s1.
What are the key properties of 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide?
4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide has a molecular weight of 382.82 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1R)-1-(2-fluoroanilino)-2-oxo-2-phenylethyl]benzamide is sourced from PubChem (CID 978938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).