2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide

C20H24ClNO2 — CID 110027851

IUPAC2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCC(CC(C)O)c2ccccc2)cc1C
InChIInChI=1S/C20H24ClNO2/c1-13-9-18(19(21)10-14(13)2)20(24)22-12-17(11-15(3)23)16-7-5-4-6-8-16/h4-10,15,17,23H,11-12H2,1-3H3,(H,22,24)
InChIKeySAWKODDEIKXWRR-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.24
Rot. Bonds6

About 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide

2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide (PubChem CID 110027851) has the molecular formula C20H24ClNO2 and a molecular weight of 345.87 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide
PubChem CID110027851
Molecular FormulaC20H24ClNO2
Molecular Weight345.87 g/mol
Exact Mass345.15
IUPAC Name2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide
SMILESCc1cc(Cl)c(C(=O)NCC(CC(C)O)c2ccccc2)cc1C
InChIInChI=1S/C20H24ClNO2/c1-13-9-18(19(21)10-14(13)2)20(24)22-12-17(11-15(3)23)16-7-5-4-6-8-16/h4-10,15,17,23H,11-12H2,1-3H3,(H,22,24)
InChIKeySAWKODDEIKXWRR-UHFFFAOYSA-N
XLogP4.24
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylbenzamide;hydrochloride
CID 120639082
2-chloro-6-fluoro-N-[(2S,4R)-4-hydroxy-2-phenylpentyl]benzamide
CID 97086616
2-chloro-N-(3-hydroxy-3-phenylpropyl)-4,5-dimethylbenzamide
CID 110027727
N-(4-hydroxy-2-phenylpentyl)-4-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 110012995
N-[(2S,4R)-4-hydroxy-2-phenylpentyl]-1,2-oxazole-3-carboxamide
CID 97086628
tert-butyl N-[(2S,4R)-4-hydroxy-2-phenylpentyl]carbamate
CID 97086612
2,4-dichloro-5-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9457236
4-amino-N-(4-hydroxy-2-phenylpentyl)pentanamide
CID 120564094
2-amino-N-(4-hydroxy-2-phenylpentyl)-2-methylpropanamide;hydrochloride
CID 119345419
2,5-dimethyl-N-(2-phenylbutyl)thiophene-3-carboxamide
CID 47113989
4-phenylheptane-2,6-diol
CID 173150769
N-(2-bromo-2-phenylethyl)-2,5-dichlorobenzamide
CID 114308255

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide (CID 110027851) is 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide is Cc1cc(Cl)c(C(=O)NCC(CC(C)O)c2ccccc2)cc1C.
What is the InChIKey of 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide?
The InChIKey is SAWKODDEIKXWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClNO2/c1-13-9-18(19(21)10-14(13)2)20(24)22-12-17(11-15(3)23)16-7-5-4-6-8-16/h4-10,15,17,23H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide?
2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide has a molecular weight of 345.87 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-2-phenylpentyl)-4,5-dimethylbenzamide is sourced from PubChem (CID 110027851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).