(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide

C12H11Cl2NO2 — CID 8712837

IUPAC(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1
InChIInChI=1S/C12H11Cl2NO2/c1-7(16)8-2-4-9(5-3-8)15-11(17)10-6-12(10,13)14/h2-5,10H,6H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyWLRKABOSGNPYAG-SNVBAGLBSA-N
MW272.13 g/mol
LogP3.02
Rot. Bonds3

About (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide

(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide (PubChem CID 8712837) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
PubChem CID8712837
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
SMILESCC(=O)c1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1
InChIInChI=1S/C12H11Cl2NO2/c1-7(16)8-2-4-9(5-3-8)15-11(17)10-6-12(10,13)14/h2-5,10H,6H2,1H3,(H,15,17)/t10-/m1/s1
InChIKeyWLRKABOSGNPYAG-SNVBAGLBSA-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

N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
2,2-dichloro-N-[4-(morpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 78892227
(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 7961012
1-N-(4-acetamidophenyl)-2-N-(4-acetylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143793
N-(4-acetylphenyl)cyclobutanecarboxamide
CID 877885
(1S)-N-(4-acetamidophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 6932479
4-[(2,2-dimethylcyclopropanecarbonyl)amino]-N-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]benzamide
CID 20632813
2,2-dichloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 24677204
trans-(1S,3R)-3-[(4-acetylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylate
CID 6941969
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731

Frequently Asked Questions

What is the IUPAC name of (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide (CID 8712837) is (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide is CC(=O)c1ccc(NC(=O)[C@H]2CC2(Cl)Cl)cc1.
What is the InChIKey of (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide?
The InChIKey is WLRKABOSGNPYAG-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c1-7(16)8-2-4-9(5-3-8)15-11(17)10-6-12(10,13)14/h2-5,10H,6H2,1H3,(H,15,17)/t10-/m1/s1.
What are the key properties of (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide?
(1R)-N-(4-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 (1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide is sourced from PubChem (CID 8712837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).