cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide

C18H18ClNO2 — CID 158550362

IUPACcis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1
InChIInChI=1S/C18H18ClNO2/c1-22-17-8-7-14(19)11-16(17)20-18(21)15-10-13(15)9-12-5-3-2-4-6-12/h2-8,11,13,15H,9-10H2,1H3,(H,20,21)/t13-,15-/m1/s1
InChIKeyHPQHISYXASIPBC-UKRRQHHQSA-N
MW315.80 g/mol
LogP4.17
Rot. Bonds5

About cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 158550362) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID158550362
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Namecis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1
InChIInChI=1S/C18H18ClNO2/c1-22-17-8-7-14(19)11-16(17)20-18(21)15-10-13(15)9-12-5-3-2-4-6-12/h2-8,11,13,15H,9-10H2,1H3,(H,20,21)/t13-,15-/m1/s1
InChIKeyHPQHISYXASIPBC-UKRRQHHQSA-N
XLogP4.17
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-[(5-chloro-2-methoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 6469206
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1-N-(5-chloro-2-methoxyphenyl)-2-N-(4-ethylphenyl)cyclopropane-1,2-dicarboxamide
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2-N-(5-chloro-2-methoxyphenyl)-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109142425
1-N-(5-chloro-2-methoxyphenyl)-2-N-(2,4-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141518
6-[(5-chloro-2-methoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 4744696
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
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1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
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(3S)-N-(5-chloro-2-methoxyphenyl)-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 26094799
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
N-(5-chloro-2-methoxyphenyl)-2-oxo-5-phenyl-1,3-oxazolidine-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide (CID 158550362) is cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(Cl)cc1NC(=O)[C@@H]1C[C@H]1Cc1ccccc1.
What is the InChIKey of cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is HPQHISYXASIPBC-UKRRQHHQSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-22-17-8-7-14(19)11-16(17)20-18(21)15-10-13(15)9-12-5-3-2-4-6-12/h2-8,11,13,15H,9-10H2,1H3,(H,20,21)/t13-,15-/m1/s1.
What are the key properties of cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-benzyl-N-(5-chloro-2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 158550362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).