cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide

C17H15Cl2NO2 — CID 99777919

IUPACcis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(CO)c(Cl)c1)[C@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c18-12-3-1-2-10(6-12)14-8-15(14)17(22)20-13-5-4-11(9-21)16(19)7-13/h1-7,14-15,21H,8-9H2,(H,20,22)/t14-,15-/m0/s1
InChIKeyBPLIEVNMYHWMFG-GJZGRUSLSA-N
MW336.22 g/mol
LogP4.23
Rot. Bonds4

About cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide (PubChem CID 99777919) has the molecular formula C17H15Cl2NO2 and a molecular weight of 336.22 g/mol. Its IUPAC name is cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
PubChem CID99777919
Molecular FormulaC17H15Cl2NO2
Molecular Weight336.22 g/mol
Exact Mass335.05
IUPAC Namecis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(CO)c(Cl)c1)[C@H]1C[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C17H15Cl2NO2/c18-12-3-1-2-10(6-12)14-8-15(14)17(22)20-13-5-4-11(9-21)16(19)7-13/h1-7,14-15,21H,8-9H2,(H,20,22)/t14-,15-/m0/s1
InChIKeyBPLIEVNMYHWMFG-GJZGRUSLSA-N
XLogP4.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
2-(3-chlorophenyl)-N-[4-(ethylsulfonylamino)-3-methylphenyl]cyclopropane-1-carboxamide
CID 49195798
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 49159062
(1S)-2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 175979811
cis-(1S,2R)-2-(3-chlorophenyl)-N-pyrimidin-2-ylcyclopropane-1-carboxamide
CID 124885257
cis-(1S,2R)-N-[[3-(carbamoylamino)phenyl]methyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 95050916
trans-(1S,2S)-2-(3-chlorophenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)cyclopropane-1-carboxamide
CID 97011127
2-(3-chlorophenyl)cyclopropane-1-carboxylic acid
CID 23423018
cis-(1R,2S)-N-(3-chlorophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 96564776
trans-(1R,2R)-2-(3-chlorophenyl)-N-(1-sulfamoyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxamide
CID 136582526
2-(3-chlorophenyl)-N-[2-(methylamino)ethyl]cyclopropane-1-carboxamide
CID 119501592
trans-(1R,2R)-2-(3,5-dichlorophenyl)-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 96564578

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide (CID 99777919) is cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(CO)c(Cl)c1)[C@H]1C[C@H]1c1cccc(Cl)c1.
What is the InChIKey of cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
The InChIKey is BPLIEVNMYHWMFG-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H15Cl2NO2/c18-12-3-1-2-10(6-12)14-8-15(14)17(22)20-13-5-4-11(9-21)16(19)7-13/h1-7,14-15,21H,8-9H2,(H,20,22)/t14-,15-/m0/s1.
What are the key properties of cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 4.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 99777919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).