(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide

C10H8Cl3NO — CID 7900097

IUPAC(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C10H8Cl3NO/c11-6-2-1-3-7(4-6)14-9(15)8-5-10(8,12)13/h1-4,8H,5H2,(H,14,15)/t8-/m0/s1
InChIKeyUNITXPMXWUXKDH-QMMMGPOBSA-N
MW264.54 g/mol
LogP3.47
Rot. Bonds2

About (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 7900097) has the molecular formula C10H8Cl3NO and a molecular weight of 264.54 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID7900097
Molecular FormulaC10H8Cl3NO
Molecular Weight264.54 g/mol
Exact Mass262.97
IUPAC Name(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C10H8Cl3NO/c11-6-2-1-3-7(4-6)14-9(15)8-5-10(8,12)13/h1-4,8H,5H2,(H,14,15)/t8-/m0/s1
InChIKeyUNITXPMXWUXKDH-QMMMGPOBSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.54
LogP ≤ 53.47
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

N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
CID 7946169
(1S)-N-(3-chlorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7033241
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
3-[(3-chlorophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 15468644
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
N-(3-chlorophenyl)-6-sulfamoyl-6-azaspiro[2.5]octane-2-carboxamide
CID 164741270
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
1-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096058
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
3-[(3-chlorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549836
N-(3-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006640

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 7900097) is (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide is O=C(Nc1cccc(Cl)c1)[C@@H]1CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UNITXPMXWUXKDH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8Cl3NO/c11-6-2-1-3-7(4-6)14-9(15)8-5-10(8,12)13/h1-4,8H,5H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 264.54 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7900097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).