trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide

C17H16ClNO — CID 887980

IUPACtrans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H16ClNO/c18-14-8-6-12(7-9-14)11-19-17(20)16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16+/m1/s1
InChIKeyDGGIRTJTQPHLGE-CVEARBPZSA-N
MW285.77 g/mol
LogP3.76
Rot. Bonds4

About trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 887980) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID887980
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Nametrans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C17H16ClNO/c18-14-8-6-12(7-9-14)11-19-17(20)16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16+/m1/s1
InChIKeyDGGIRTJTQPHLGE-CVEARBPZSA-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

cis-(1R,2S)-N-benzyl-2-(3,5-dichlorophenyl)cyclopropane-1-carboxamide
CID 96564457
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
cis-(1S,2R)-2-phenyl-N-[(4-sulfamoylphenyl)methyl]cyclopropane-1-carboxamide
CID 40606359
(3S,4R)-N-benzyl-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46215955
trans-(1R,2R)-2-(4-chlorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 95615188
N-benzyl-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 51291733
N-(1,3-benzodioxol-5-ylmethyl)-2-phenylcyclopropane-1-carboxamide
CID 2862795
cis-(1R,2S)-2-(benzylcarbamoyl)cyclopropane-1-carboxylic acid
CID 51776902
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
N-[3-(4-hydroxyphenyl)propyl]-2-phenylcyclopropane-1-carboxamide
CID 110612039
N-(2-bromoprop-2-enyl)-2-phenylcyclopropane-1-carboxamide
CID 115594336
N-(2-hydroxy-2-methylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 79039782

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide (CID 887980) is trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide is O=C(NCc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is DGGIRTJTQPHLGE-CVEARBPZSA-N. The full InChI is InChI=1S/C17H16ClNO/c18-14-8-6-12(7-9-14)11-19-17(20)16-10-15(16)13-4-2-1-3-5-13/h1-9,15-16H,10-11H2,(H,19,20)/t15-,16+/m1/s1.
What are the key properties of trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-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 trans-(1S,2S)-N-[(4-chlorophenyl)methyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 887980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).