N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide

C18H15Cl2NO2 — CID 3804194

IUPACN-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(c3ccccc3)CC2(Cl)Cl)cc1
InChIInChI=1S/C18H15Cl2NO2/c1-12(22)13-7-9-15(10-8-13)21-16(23)17(11-18(17,19)20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyJBYGUWLTBNNDCH-UHFFFAOYSA-N
MW348.23 g/mol
LogP4.34
Rot. Bonds4

About N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide

N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide (PubChem CID 3804194) has the molecular formula C18H15Cl2NO2 and a molecular weight of 348.23 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide
PubChem CID3804194
Molecular FormulaC18H15Cl2NO2
Molecular Weight348.23 g/mol
Exact Mass347.05
IUPAC NameN-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2(c3ccccc3)CC2(Cl)Cl)cc1
InChIInChI=1S/C18H15Cl2NO2/c1-12(22)13-7-9-15(10-8-13)21-16(23)17(11-18(17,19)20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,23)
InChIKeyJBYGUWLTBNNDCH-UHFFFAOYSA-N
XLogP4.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ar-42
CID 6918848
4'-Chloroacetyl(acetanilide)
CID 8805
N-[4-(1-oxopropyl)phenyl]acetamide
CID 85655
N-(p-acetylphenyl)acetamide
CID 75937
4'-Benzoylbenzanilide
CID 88168
4-Acetamidochalcone
CID 5896580
2-[(4-Acetylphenyl)amino]-3-chloro-1,4-naphthalenedione
CID 781109
N-hydroxy-4-[[(2R)-2-phenylbutanoyl]amino]benzamide
CID 11231829
N-hydroxy-4-[[(2S)-2-phenylbutanoyl]amino]benzamide
CID 11312563
N-hydroxy-4-(2-phenylbutanoylamino)benzamide
CID 11347053
N,2-bis(4-methylphenyl)-2-oxoacetamide
CID 9115533
N-(4-benzoylphenyl)propanamide
CID 221856

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide (CID 3804194) is N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide is CC(=O)c1ccc(NC(=O)C2(c3ccccc3)CC2(Cl)Cl)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide?
The InChIKey is JBYGUWLTBNNDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2NO2/c1-12(22)13-7-9-15(10-8-13)21-16(23)17(11-18(17,19)20)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,21,23).
What are the key properties of N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide?
N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide has a molecular weight of 348.23 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2,2-dichloro-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 3804194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).