2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide

C18H17Cl2NO — CID 4590614

IUPAC2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c(C)c1
InChIInChI=1S/C18H17Cl2NO/c1-11-8-9-14(12(2)10-11)21-17(22)16-15(18(16,19)20)13-6-4-3-5-7-13/h3-10,15-16H,1-2H3,(H,21,22)
InChIKeyHXJOJPXOPOKLBC-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.83
Rot. Bonds3

About 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide

2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide (PubChem CID 4590614) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide
PubChem CID4590614
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c(C)c1
InChIInChI=1S/C18H17Cl2NO/c1-11-8-9-14(12(2)10-11)21-17(22)16-15(18(16,19)20)13-6-4-3-5-7-13/h3-10,15-16H,1-2H3,(H,21,22)
InChIKeyHXJOJPXOPOKLBC-UHFFFAOYSA-N
XLogP4.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-N-(2,4-dimethylphenyl)-3-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

trans-(1R,3R)-2,2-dichloro-3-phenyl-N-(2,4,6-trimethylphenyl)cyclopropane-1-carboxamide
CID 7033280
(1R)-N-(2,4-dimethylphenyl)-2,2-diphenylcyclopropane-1-carboxamide
CID 1381012
trans-(1S,3S)-2,2-dichloro-3-phenyl-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2177123
trans-(1R,3R)-N-(4,5-difluoro-2-methylphenyl)-2,2-dimethyl-3-phenylcyclopropane-1-carboxamide
CID 118160761
2,2-dichloro-N-(3-methoxyphenyl)-3-phenylcyclopropane-1-carboxamide
CID 2832306
1-N-(2,4-dimethylphenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140799
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
N-(2,4-dimethylphenyl)-4-hydroxy-4-methyl-2-oxo-6-phenylcyclohexane-1-carboxamide
CID 71830970
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
[4-[[3-[[2,2-dichloro-3-(3,4,5-trichlorophenyl)cyclopropanecarbonyl]amino]benzoyl]amino]-3-methylphenyl]carbamic acid
CID 122617921
1-N-(2-chlorophenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141508
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide (CID 4590614) is 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide is Cc1ccc(NC(=O)C2C(c3ccccc3)C2(Cl)Cl)c(C)c1.
What is the InChIKey of 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide?
The InChIKey is HXJOJPXOPOKLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-11-8-9-14(12(2)10-11)21-17(22)16-15(18(16,19)20)13-6-4-3-5-7-13/h3-10,15-16H,1-2H3,(H,21,22).
What are the key properties of 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide has a molecular weight of 334.25 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,4-dimethylphenyl)-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 4590614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).