N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide

C18H17ClN2O2 — CID 113095104

IUPACN-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-12(22)20-15-5-7-16(8-6-15)21(17-9-10-17)18(23)13-3-2-4-14(19)11-13/h2-8,11,17H,9-10H2,1H3,(H,20,22)
InChIKeyBBRPDFIABKLLDW-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.11
Rot. Bonds4

About N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide

N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide (PubChem CID 113095104) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
PubChem CID113095104
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide
SMILESCC(=O)Nc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC2)cc1
InChIInChI=1S/C18H17ClN2O2/c1-12(22)20-15-5-7-16(8-6-15)21(17-9-10-17)18(23)13-3-2-4-14(19)11-13/h2-8,11,17H,9-10H2,1H3,(H,20,22)
InChIKeyBBRPDFIABKLLDW-UHFFFAOYSA-N
XLogP4.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-4-bromo-N-cyclopropylbenzamide
CID 113095079
3-chloro-N-cyclopropyl-N-methylbenzamide
CID 110726716
methyl N-(4-acetamidophenyl)-N-cyclopropylcarbamate
CID 113095123
N-[4-[acetyl(cyclopropyl)amino]phenyl]-4-chlorobenzamide
CID 113094075
N-[2-[acetyl(cyclopropyl)amino]ethyl]-3-chlorobenzamide
CID 113052148
N-[4-[acetyl(cyclopropyl)amino]phenyl]-3-bromobenzamide
CID 113094048
3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
4-chloro-N-cyclopropyl-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094726
N-cyclopropyl-3-fluoro-N-[4-(methanesulfonamido)phenyl]benzamide
CID 113094703
N-(4-acetamidophenyl)-2-(4-chlorophenoxy)-N-cyclopropylacetamide
CID 113095100
N-(4-acetamidophenyl)-N-cyclopropyl-2-ethylbutanamide
CID 113095067
N-(4-acetamidophenyl)-N-cyclopropyloxolane-2-carboxamide
CID 113095065

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide?
The IUPAC name of N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide (CID 113095104) is N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide is CC(=O)Nc1ccc(N(C(=O)c2cccc(Cl)c2)C2CC2)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide?
The InChIKey is BBRPDFIABKLLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-12(22)20-15-5-7-16(8-6-15)21(17-9-10-17)18(23)13-3-2-4-14(19)11-13/h2-8,11,17H,9-10H2,1H3,(H,20,22).
What are the key properties of N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide?
N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide has a molecular weight of 328.80 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-chloro-N-cyclopropylbenzamide is sourced from PubChem (CID 113095104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).