N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide

C18H16ClNO2 — CID 5303194

IUPACN-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide
SMILESCC(=O)c1ccc(C2CC2)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H16ClNO2/c1-11(21)14-6-9-16(12-2-3-12)17(10-14)20-18(22)13-4-7-15(19)8-5-13/h4-10,12H,2-3H2,1H3,(H,20,22)
InChIKeyCUBZIXLMDDFCGW-UHFFFAOYSA-N
MW313.78 g/mol
LogP4.67
Rot. Bonds4

About N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide

N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide (PubChem CID 5303194) has the molecular formula C18H16ClNO2 and a molecular weight of 313.78 g/mol. Its IUPAC name is N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide
PubChem CID5303194
Molecular FormulaC18H16ClNO2
Molecular Weight313.78 g/mol
Exact Mass313.09
IUPAC NameN-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide
SMILESCC(=O)c1ccc(C2CC2)c(NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C18H16ClNO2/c1-11(21)14-6-9-16(12-2-3-12)17(10-14)20-18(22)13-4-7-15(19)8-5-13/h4-10,12H,2-3H2,1H3,(H,20,22)
InChIKeyCUBZIXLMDDFCGW-UHFFFAOYSA-N
XLogP4.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(5-chloro-2-hydroxy-3-methylphenyl)benzamide
CID 163288303
4-chloro-N-[4-[(4-chlorobenzoyl)amino]-3-methylphenyl]benzamide
CID 27042156
N-(3-acetylphenyl)-4-chloro-2-[(4-fluorobenzoyl)amino]benzamide
CID 9095798
4-(4-chlorophenyl)-N-[4-methoxy-3-(1-propan-2-ylpiperidin-4-yl)phenyl]benzamide
CID 10457091
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-(2-amino-5-chlorophenyl)-4-chlorobenzamide
CID 16771665
N-(5-acetyl-2-chlorophenyl)-4-(methoxymethyl)benzamide
CID 71969037
4-bromo-3-[(4-chlorobenzoyl)amino]benzoic acid
CID 107812538
1-N-cyclopropyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043435
N-(5-acetyl-2-ethoxyphenyl)-3-chlorobenzamide
CID 94763103
4-chloro-N-(3-cyclopropyl-4-fluorophenyl)-3-sulfanylbenzamide
CID 167246714
N-[5-chloro-2-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]phenyl]benzamide
CID 59548769

Frequently Asked Questions

What is the IUPAC name of N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide?
The IUPAC name of N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide (CID 5303194) is N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide.
What is the SMILES notation for N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide?
The canonical SMILES for N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide is CC(=O)c1ccc(C2CC2)c(NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide?
The InChIKey is CUBZIXLMDDFCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO2/c1-11(21)14-6-9-16(12-2-3-12)17(10-14)20-18(22)13-4-7-15(19)8-5-13/h4-10,12H,2-3H2,1H3,(H,20,22).
What are the key properties of N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide?
N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide has a molecular weight of 313.78 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetyl-2-cyclopropylphenyl)-4-chlorobenzamide is sourced from PubChem (CID 5303194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).