trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide

C17H16ClNO — CID 887653

IUPACtrans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H16ClNO/c1-11-7-8-13(18)9-16(11)19-17(20)15-10-14(15)12-5-3-2-4-6-12/h2-9,14-15H,10H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyLWSDYHNAIGPHPM-LSDHHAIUSA-N
MW285.77 g/mol
LogP4.39
Rot. Bonds3

About trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 887653) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID887653
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Nametrans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1
InChIInChI=1S/C17H16ClNO/c1-11-7-8-13(18)9-16(11)19-17(20)15-10-14(15)12-5-3-2-4-6-12/h2-9,14-15H,10H2,1H3,(H,19,20)/t14-,15+/m0/s1
InChIKeyLWSDYHNAIGPHPM-LSDHHAIUSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-N-(2-methyl-5-methylsulfanylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 97258874
N-(5-amino-2,4-dimethylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 104756910
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569153
1-N-(2,5-dichlorophenyl)-2-N-(2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109140988
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
CID 86857978
N-(2-bromo-4-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 3346016
N-(2-amino-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 115912203
N-(4-chloro-2-pyridinyl)-2-phenylcyclopropane-1-carboxamide
CID 115627268
1-N-benzyl-4-N-(5-chloro-2-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147946
cis-(1S,2R)-2-(3,5-dichlorophenyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 96564487
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide (CID 887653) is trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1c1ccccc1.
What is the InChIKey of trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is LWSDYHNAIGPHPM-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-7-8-13(18)9-16(11)19-17(20)15-10-14(15)12-5-3-2-4-6-12/h2-9,14-15H,10H2,1H3,(H,19,20)/t14-,15+/m0/s1.
What are the key properties of trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 887653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).