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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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).