2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide

C15H20ClNO3 — CID 111695134

IUPAC2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-17(8-12(18)9-20-2)15(19)14-7-13(14)10-3-5-11(16)6-4-10/h3-6,12-14,18H,7-9H2,1-2H3
InChIKeyVHECZVLXHQZETO-UHFFFAOYSA-N
MW297.78 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide

2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide (PubChem CID 111695134) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
PubChem CID111695134
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
SMILESCOCC(O)CN(C)C(=O)C1CC1c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO3/c1-17(8-12(18)9-20-2)15(19)14-7-13(14)10-3-5-11(16)6-4-10/h3-6,12-14,18H,7-9H2,1-2H3
InChIKeyVHECZVLXHQZETO-UHFFFAOYSA-N
XLogP1.91
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide
CID 71864033
trans-(1S,2S)-2-(4-chlorophenyl)-N-(2,2-difluoroethyl)-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 96501814
trans-(1R,2R)-2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 45026975
2-(4-chlorophenyl)-N-methoxy-N-methylcyclopropane-1-carboxamide;ethane
CID 142901928
N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
CID 79543844
3-(4-chlorophenyl)-1-(2-hydroxy-3-methoxypropyl)-1-methylurea
CID 54941815
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 86897328
cis-(1S,2R)-N-[[(3R)-1-acetylpyrrolidin-3-yl]methyl]-2-(4-chlorophenyl)-N-methylcyclopropane-1-carboxamide
CID 124778922
2-(2,4-dichlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylacetamide
CID 54993871
1-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]ethanone
CID 1475633
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide (CID 111695134) is 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide is COCC(O)CN(C)C(=O)C1CC1c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
The InChIKey is VHECZVLXHQZETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-17(8-12(18)9-20-2)15(19)14-7-13(14)10-3-5-11(16)6-4-10/h3-6,12-14,18H,7-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide?
2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide has a molecular weight of 297.78 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2-hydroxy-3-methoxypropyl)-N-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 111695134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).