(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide

C16H11Cl4NO — CID 7039242

IUPAC(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)[C@@]1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C16H11Cl4NO/c17-12-7-6-11(8-13(12)18)21-14(22)15(9-16(15,19)20)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)/t15-/m0/s1
InChIKeyBDIBKHXOXFNHIZ-HNNXBMFYSA-N
MW375.08 g/mol
LogP5.45
Rot. Bonds3

About (1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 7039242) has the molecular formula C16H11Cl4NO and a molecular weight of 375.08 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID7039242
Molecular FormulaC16H11Cl4NO
Molecular Weight375.08 g/mol
Exact Mass372.96
IUPAC Name(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)[C@@]1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C16H11Cl4NO/c17-12-7-6-11(8-13(12)18)21-14(22)15(9-16(15,19)20)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)/t15-/m0/s1
InChIKeyBDIBKHXOXFNHIZ-HNNXBMFYSA-N
XLogP5.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.08
LogP ≤ 55.45
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

(1R)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039241
2,2-dichloro-1-phenyl-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 2832397
[3-[(3,4-dichlorophenyl)carbamoyl]-1-bicyclo[1.1.1]pentanyl]carbamic acid
CID 170165075
1-N-benzyl-1-N'-(3,4-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 108974881
2,2-dichloro-1-phenyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide
CID 139914678
1-N'-(3,4-dichlorophenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977196
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
CID 110438526
N-[3-chloro-4-(difluoromethoxy)phenyl]-1-phenylcyclopropane-1-carboxamide
CID 8696473
2-[(3,4-dichlorophenyl)carbamoyl]cyclohexene-1-carboxylic acid
CID 53270474
N-(3,4-dichlorophenyl)-2-methyl-5-oxo-2-phenyloxolane-3-carboxamide
CID 134103282
1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
CID 113216996

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide (CID 7039242) is (1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)[C@@]1(c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of (1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is BDIBKHXOXFNHIZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H11Cl4NO/c17-12-7-6-11(8-13(12)18)21-14(22)15(9-16(15,19)20)10-4-2-1-3-5-10/h1-8H,9H2,(H,21,22)/t15-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 375.08 g/mol, XLogP of 5.45, 3 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-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 7039242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).