2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide

C18H17Cl2NO — CID 590551

IUPAC2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C18H17Cl2NO/c1-2-12-8-6-7-11-14(12)21-17(22)16-15(18(16,19)20)13-9-4-3-5-10-13/h3-11,15-16H,2H2,1H3,(H,21,22)
InChIKeyQQAFPMSTDLZFFD-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.78
Rot. Bonds4

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

2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide (PubChem CID 590551) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is 2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide
PubChem CID590551
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide
SMILESCCc1ccccc1NC(=O)C1C(c2ccccc2)C1(Cl)Cl
InChIInChI=1S/C18H17Cl2NO/c1-2-12-8-6-7-11-14(12)21-17(22)16-15(18(16,19)20)13-9-4-3-5-10-13/h3-11,15-16H,2H2,1H3,(H,21,22)
InChIKeyQQAFPMSTDLZFFD-UHFFFAOYSA-N
XLogP4.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 532827
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N-(2,3-dimethylphenyl)-3-phenylpropanamide
CID 795944
N-(2,3-dimethylphenyl)-2-phenylcyclopropanecarboxamide
CID 2933462
Upcmld05admt002042
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N-(2-benzylphenyl)-2-methylpropanamide
CID 2540124
2,2-Diphenyl-N-P-tolyl-acetamide
CID 344833
2'-Benzyl-2,2-dimethylpropionanilide
CID 736045
N-[4-(acetylamino)phenyl]-3,3-diphenylpropanamide
CID 1273259
4-phenyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 2234964
2-(2-fluorophenyl)-N-(2-phenylphenyl)acetamide
CID 2547062

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide (CID 590551) is 2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide is CCc1ccccc1NC(=O)C1C(c2ccccc2)C1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide?
The InChIKey is QQAFPMSTDLZFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c1-2-12-8-6-7-11-14(12)21-17(22)16-15(18(16,19)20)13-9-4-3-5-10-13/h3-11,15-16H,2H2,1H3,(H,21,22).
What are the key properties of 2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide?
2,2-dichloro-N-(2-ethylphenyl)-3-phenylcyclopropane-1-carboxamide has a molecular weight of 334.25 g/mol, XLogP of 4.78, 4 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-ethylphenyl)-3-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 590551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).