(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide

C10H9Cl2NO — CID 7946169

IUPAC(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C10H9Cl2NO/c11-10(12)6-8(10)9(14)13-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m0/s1
InChIKeyJEADSZHGHPYUPN-QMMMGPOBSA-N
MW230.09 g/mol
LogP2.82
Rot. Bonds2

About (1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide (PubChem CID 7946169) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
PubChem CID7946169
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CC1(Cl)Cl
InChIInChI=1S/C10H9Cl2NO/c11-10(12)6-8(10)9(14)13-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m0/s1
InChIKeyJEADSZHGHPYUPN-QMMMGPOBSA-N
XLogP2.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.82
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

(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 7900097
(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 8712837
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 7961012
3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
CID 178058411
1-ethyl-2-(phenylcarbamoyl)cyclopropane-1-carboxylic acid
CID 67468915
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
2,2-dimethyl-N-phenylcyclopentane-1-carboxamide
CID 103846294
(1S)-2,2-dichloro-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 139058748
2,2-dichloro-N-[4-(morpholine-4-carbonyl)phenyl]cyclopropane-1-carboxamide
CID 78892227
2,2-dichloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 24677204
(3S)-2,2-dimethyl-5-oxo-N-phenyloxolane-3-carboxamide
CID 929902

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide (CID 7946169) is (1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide is O=C(Nc1ccccc1)[C@@H]1CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide?
The InChIKey is JEADSZHGHPYUPN-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-10(12)6-8(10)9(14)13-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,13,14)/t8-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-phenylcyclopropane-1-carboxamide has a molecular weight of 230.09 g/mol, XLogP of 2.82, 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-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7946169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).