cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

C19H20ClNO3 — CID 129424865

IUPACcis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H](O)CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-24-13-6-4-5-12(9-13)18(22)11-21-19(23)16-10-15(16)14-7-2-3-8-17(14)20/h2-9,15-16,18,22H,10-11H2,1H3,(H,21,23)/t15-,16-,18+/m0/s1
InChIKeyXFEDJVYLCHBOHR-XYJFISCASA-N
MW345.83 g/mol
LogP3.30
Rot. Bonds6

About cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 129424865) has the molecular formula C19H20ClNO3 and a molecular weight of 345.83 g/mol. Its IUPAC name is cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID129424865
Molecular FormulaC19H20ClNO3
Molecular Weight345.83 g/mol
Exact Mass345.11
IUPAC Namecis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
SMILESCOc1cccc([C@H](O)CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1
InChIInChI=1S/C19H20ClNO3/c1-24-13-6-4-5-12(9-13)18(22)11-21-19(23)16-10-15(16)14-7-2-3-8-17(14)20/h2-9,15-16,18,22H,10-11H2,1H3,(H,21,23)/t15-,16-,18+/m0/s1
InChIKeyXFEDJVYLCHBOHR-XYJFISCASA-N
XLogP3.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-(2-fluorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 111115585
2-(2-chlorophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide
CID 55522276
trans-(1R,2R)-N-(2-hydroxy-2-phenylethyl)-2-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 138039139
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3,5-dimethylcyclohexane-1-carboxamide
CID 110020967
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111107160
3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765481
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
2-(2-chlorophenyl)-N-[3-(4-methoxyphenyl)propyl]cyclopropane-1-carboxamide
CID 55919373
N-[2-(furan-2-yl)-2-hydroxyethyl]-2-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 111107167
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

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide (CID 129424865) is cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is COc1cccc([C@H](O)CNC(=O)[C@H]2C[C@H]2c2ccccc2Cl)c1.
What is the InChIKey of cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is XFEDJVYLCHBOHR-XYJFISCASA-N. The full InChI is InChI=1S/C19H20ClNO3/c1-24-13-6-4-5-12(9-13)18(22)11-21-19(23)16-10-15(16)14-7-2-3-8-17(14)20/h2-9,15-16,18,22H,10-11H2,1H3,(H,21,23)/t15-,16-,18+/m0/s1.
What are the key properties of cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 345.83 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(2-chlorophenyl)-N-[(2S)-2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129424865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).