4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide

C21H13ClFNO3 — CID 66575367

IUPAC4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClFNO3/c22-15-9-5-14(6-10-15)21(27)24-18-4-2-1-3-17(18)20(26)19(25)13-7-11-16(23)12-8-13/h1-12H,(H,24,27)
InChIKeyDSHOSKGPFKUPRZ-UHFFFAOYSA-N
MW381.79 g/mol
LogP4.80
Rot. Bonds5

About 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide

4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide (PubChem CID 66575367) has the molecular formula C21H13ClFNO3 and a molecular weight of 381.79 g/mol. Its IUPAC name is 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide
PubChem CID66575367
Molecular FormulaC21H13ClFNO3
Molecular Weight381.79 g/mol
Exact Mass381.06
IUPAC Name4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide
SMILESO=C(Nc1ccccc1C(=O)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClFNO3/c22-15-9-5-14(6-10-15)21(27)24-18-4-2-1-3-17(18)20(26)19(25)13-7-11-16(23)12-8-13/h1-12H,(H,24,27)
InChIKeyDSHOSKGPFKUPRZ-UHFFFAOYSA-N
XLogP4.80
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.79
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorobenzoyl)amino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]benzamide
CID 6088613
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
2-[(4-fluorobenzoyl)amino]-N,N-dimethylbenzamide
CID 4942407
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-chloro-2-[(4-fluorobenzoyl)amino]-N-(2-methylphenyl)benzamide
CID 8714104
N-(2-ethylphenyl)-2-[(4-fluorobenzoyl)amino]benzamide
CID 58758751
N-cyclopropyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2681136
N-butan-2-yl-2-[(4-fluorobenzoyl)amino]benzamide
CID 2943228
4-fluoro-N-(2-iodophenyl)benzamide
CID 687036
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide (CID 66575367) is 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide is O=C(Nc1ccccc1C(=O)C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide?
The InChIKey is DSHOSKGPFKUPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClFNO3/c22-15-9-5-14(6-10-15)21(27)24-18-4-2-1-3-17(18)20(26)19(25)13-7-11-16(23)12-8-13/h1-12H,(H,24,27).
What are the key properties of 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide?
4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide has a molecular weight of 381.79 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[2-(4-fluorophenyl)-2-oxoacetyl]phenyl]benzamide is sourced from PubChem (CID 66575367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).