N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide

C12H11Cl2NO2 — CID 18082486

IUPACN-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2(Cl)Cl)c1
InChIInChI=1S/C12H11Cl2NO2/c1-7(16)8-3-2-4-9(5-8)15-11(17)10-6-12(10,13)14/h2-5,10H,6H2,1H3,(H,15,17)
InChIKeyFFEHMITXKYWOMS-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.02
Rot. Bonds3

About N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide

N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 18082486) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID18082486
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC NameN-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC2(Cl)Cl)c1
InChIInChI=1S/C12H11Cl2NO2/c1-7(16)8-3-2-4-9(5-8)15-11(17)10-6-12(10,13)14/h2-5,10H,6H2,1H3,(H,15,17)
InChIKeyFFEHMITXKYWOMS-UHFFFAOYSA-N
XLogP3.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 7900097
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
N-(3-acetylphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66476131
(1S,4R,6R,9R)-N-(3-acetylphenyl)-10,10-dichlorotricyclo[7.1.0.04,6]decane-5-carboxamide
CID 11896358
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(3-acetylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013625
(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 7961012
4-N-(3-acetylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150441
N-(3-bromophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837156
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 5061534
N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64857039

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide (CID 18082486) is N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide is CC(=O)c1cccc(NC(=O)C2CC2(Cl)Cl)c1.
What is the InChIKey of N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is FFEHMITXKYWOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c1-7(16)8-3-2-4-9(5-8)15-11(17)10-6-12(10,13)14/h2-5,10H,6H2,1H3,(H,15,17).
What are the key properties of N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide?
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide has a molecular weight of 272.13 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide is sourced from PubChem (CID 18082486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).