N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide

C17H16ClNO — CID 51291733

IUPACN-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H16ClNO/c18-16-9-5-4-8-13(16)14-10-15(14)17(20)19-11-12-6-2-1-3-7-12/h1-9,14-15H,10-11H2,(H,19,20)
InChIKeyUIGDCCDUFWIUMZ-UHFFFAOYSA-N
MW285.77 g/mol
LogP3.76
Rot. Bonds4

About N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide

N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 51291733) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID51291733
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1ccccc1)C1CC1c1ccccc1Cl
InChIInChI=1S/C17H16ClNO/c18-16-9-5-4-8-13(16)14-10-15(14)17(20)19-11-12-6-2-1-3-7-12/h1-9,14-15H,10-11H2,(H,19,20)
InChIKeyUIGDCCDUFWIUMZ-UHFFFAOYSA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
2-(2-chlorophenyl)-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748329
2-(2-chlorophenyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51292245
2-(2-chlorophenyl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55748466
2-(2-chlorophenyl)-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 55493076
2-(2-chlorophenyl)-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 134009951
cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
5-[[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 122110269
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55522273
trans-(1S,2S)-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 41447387
3-[[(1S,2S)-2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 97324672
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 887980

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide (CID 51291733) is N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide is O=C(NCc1ccccc1)C1CC1c1ccccc1Cl.
What is the InChIKey of N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is UIGDCCDUFWIUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-16-9-5-4-8-13(16)14-10-15(14)17(20)19-11-12-6-2-1-3-7-12/h1-9,14-15H,10-11H2,(H,19,20).
What are the key properties of N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide?
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 51291733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).