N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide

C18H20ClNO2 — CID 19029350

IUPACN-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide
SMILESCN(C(=O)CC(CCO)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-20(17-9-7-16(19)8-10-17)18(22)13-15(11-12-21)14-5-3-2-4-6-14/h2-10,15,21H,11-13H2,1H3
InChIKeyOKRZPMFWMLXTHQ-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.86
Rot. Bonds6

About N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide

N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide (PubChem CID 19029350) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide
PubChem CID19029350
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC NameN-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide
SMILESCN(C(=O)CC(CCO)c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClNO2/c1-20(17-9-7-16(19)8-10-17)18(22)13-15(11-12-21)14-5-3-2-4-6-14/h2-10,15,21H,11-13H2,1H3
InChIKeyOKRZPMFWMLXTHQ-UHFFFAOYSA-N
XLogP3.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-N-methyl-1-phenylcyclopentane-1-carboxamide
CID 46891305
5-(4-Chloroanilino)-3-(4-chlorophenyl)-5-oxopentanoic acid
CID 56659988
N-[3,5-bis(trifluoromethyl)phenyl]-3-(3,4-dichlorophenyl)-5-hydroxy-N-methylpentanamide
CID 19029367
3,4-Difluoro-beta-(2-hydroxyethyl)-N-methyl-N-phenylbenzenepropanamide
CID 54020928
1-[3-(2-Chloro-4-fluorophenyl)phenyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one
CID 67105012
1-[3-(2-Chloro-4-fluorophenyl)-4-fluorophenyl]-4-(4-fluorophenyl)-4-(2-hydroxyethyl)piperidin-2-one
CID 67105262
1-[3-(2-Chloro-4-fluorophenyl)-4-fluorophenyl]-4-(2-hydroxyethyl)-4-phenylpiperidin-2-one
CID 90057010
(2S)-2-[(R)-(4-chlorophenyl)-hydroxymethyl]-N-phenyl-N-prop-2-enylhexanamide
CID 60157843
(2S,3R)-3-(4-chlorophenyl)-3-hydroxy-N,2-dimethyl-N-phenylpropanamide
CID 60157863
(2S,3R)-3-(4-chlorophenyl)-N-ethyl-3-hydroxy-2-methyl-N-phenylpropanamide
CID 60157865
(2R,3S)-1-(4-chlorophenyl)-5-oxo-3-phenylpyrrolidine-2-carboxylic acid
CID 13034110
(RS)-N-Allyl-2-((SR)-(4-chlorophenyl)(hydroxy)methyl)-N-phenylhexanamide
CID 53488231

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide?
The IUPAC name of N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide (CID 19029350) is N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide.
What is the SMILES notation for N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide?
The canonical SMILES for N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide is CN(C(=O)CC(CCO)c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide?
The InChIKey is OKRZPMFWMLXTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-20(17-9-7-16(19)8-10-17)18(22)13-15(11-12-21)14-5-3-2-4-6-14/h2-10,15,21H,11-13H2,1H3.
What are the key properties of N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide?
N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide has a molecular weight of 317.82 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-5-hydroxy-N-methyl-3-phenylpentanamide is sourced from PubChem (CID 19029350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).