(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide

C12H13Cl2NO — CID 7961012

IUPAC(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@H]2CC2(Cl)Cl)c1
InChIInChI=1S/C12H13Cl2NO/c1-7-3-8(2)5-9(4-7)15-11(16)10-6-12(10,13)14/h3-5,10H,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyQXGGWSGFSLLFPX-SNVBAGLBSA-N
MW258.15 g/mol
LogP3.44
Rot. Bonds2

About (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide

(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide (PubChem CID 7961012) has the molecular formula C12H13Cl2NO and a molecular weight of 258.15 g/mol. Its IUPAC name is (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
PubChem CID7961012
Molecular FormulaC12H13Cl2NO
Molecular Weight258.15 g/mol
Exact Mass257.04
IUPAC Name(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)[C@H]2CC2(Cl)Cl)c1
InChIInChI=1S/C12H13Cl2NO/c1-7-3-8(2)5-9(4-7)15-11(16)10-6-12(10,13)14/h3-5,10H,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyQXGGWSGFSLLFPX-SNVBAGLBSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.15
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-(4-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 8712837
N-(3-acetylphenyl)-2,2-dichlorocyclopropane-1-carboxamide
CID 18082486
(1S)-2,2-dichloro-N-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 7900097
10,10-dichloro-N-(3,5-dimethylphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 2928549
2,2-dichloro-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]cyclopropane-1-carboxamide
CID 24677204
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
2,2-dichloro-N-(2,4,6-trimethyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 78837741
N-(3,5-dimethylphenyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013635
N-(4-amino-2-methylphenyl)-2-chloro-5-[(2,2-dichlorocyclopropanecarbonyl)amino]benzamide
CID 138652651
(2R)-N-(3,5-dimethylphenyl)-6-(3-phenylprop-2-ynoyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42248101
(1R,2S,4S,5R)-N-(3,5-dimethylphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98189669
2,2-dichloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclopropane-1-carboxamide
CID 139221869

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide (CID 7961012) is (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide is Cc1cc(C)cc(NC(=O)[C@H]2CC2(Cl)Cl)c1.
What is the InChIKey of (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
The InChIKey is QXGGWSGFSLLFPX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13Cl2NO/c1-7-3-8(2)5-9(4-7)15-11(16)10-6-12(10,13)14/h3-5,10H,6H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide?
(1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide has a molecular weight of 258.15 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dichloro-N-(3,5-dimethylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 7961012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).