2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide

C18H17Cl2NO — CID 2832401

IUPAC2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C18H17Cl2NO/c19-18(20)13-17(18,15-9-5-2-6-10-15)16(22)21-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,21,22)
InChIKeyMRHIZGABXJUOFN-UHFFFAOYSA-N
MW334.25 g/mol
LogP3.86
Rot. Bonds5

About 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide

2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide (PubChem CID 2832401) has the molecular formula C18H17Cl2NO and a molecular weight of 334.25 g/mol. Its IUPAC name is 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
PubChem CID2832401
Molecular FormulaC18H17Cl2NO
Molecular Weight334.25 g/mol
Exact Mass333.07
IUPAC Name2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide
SMILESO=C(NCCc1ccccc1)C1(c2ccccc2)CC1(Cl)Cl
InChIInChI=1S/C18H17Cl2NO/c19-18(20)13-17(18,15-9-5-2-6-10-15)16(22)21-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,21,22)
InChIKeyMRHIZGABXJUOFN-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 53.86
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

(2R)-2-phenyl-N-(2-pyridin-4-ylethyl)spiro[2.4]heptane-2-carboxamide
CID 99970498
(1S)-2,2-dichloro-N-[2-(4-chlorophenyl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 2229042
(2R)-N-(2-phenylethyl)-2-(trifluoromethyl)oxirane-2-carboxamide
CID 87994632
N-(2-phenylethyl)-2-(2-phenylethylsulfanyl)acetamide
CID 118398418
1-N'-cyclopropyl-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108970621
molecular hydrogen;2-phenylethylcarbamic acid
CID 145072858
2-phenylethylcarbamothioic S-acid
CID 11116669
1-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]cyclopropane-1-carboxamide
CID 2650232
4-methoxy-N-(2-phenylethyl)piperidine-4-carboxamide;hydrochloride
CID 119670076
(1S)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039242
(1R)-2,2-dichloro-N-(3,4-dichlorophenyl)-1-phenylcyclopropane-1-carboxamide
CID 7039241
N-[2-(4-chlorophenyl)ethyl]-2,2-dimethyl-N'-(2-phenylethyl)propanediamide
CID 108963810

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide (CID 2832401) is 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide is O=C(NCCc1ccccc1)C1(c2ccccc2)CC1(Cl)Cl.
What is the InChIKey of 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
The InChIKey is MRHIZGABXJUOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2NO/c19-18(20)13-17(18,15-9-5-2-6-10-15)16(22)21-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,21,22).
What are the key properties of 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide?
2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide has a molecular weight of 334.25 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-phenyl-N-(2-phenylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 2832401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).