2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide

C14H20ClNO3 — CID 111540038

IUPAC2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide
SMILESCOc1cccc(Cl)c1C(=O)NCC(C)CC(C)O
InChIInChI=1S/C14H20ClNO3/c1-9(7-10(2)17)8-16-14(18)13-11(15)5-4-6-12(13)19-3/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyIFIDULOVFIGUIK-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.49
Rot. Bonds6

About 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide

2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide (PubChem CID 111540038) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide.

Molecular Properties

Compound Name2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide
PubChem CID111540038
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Name2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide
SMILESCOc1cccc(Cl)c1C(=O)NCC(C)CC(C)O
InChIInChI=1S/C14H20ClNO3/c1-9(7-10(2)17)8-16-14(18)13-11(15)5-4-6-12(13)19-3/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,18)
InChIKeyIFIDULOVFIGUIK-UHFFFAOYSA-N
XLogP2.49
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methoxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830304
N-(2-hydroxypropyl)-2,6-dimethoxybenzamide
CID 43501194
N-(3-bromo-2-methylpropyl)-2,6-dimethoxybenzamide
CID 113275338
N-(2-hydroxy-4-methylpentyl)-2,6-dimethoxybenzamide
CID 103819903
N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
CID 111447086
N-(4-bromo-2-methylbutyl)-2,6-dichlorobenzamide
CID 114316754
2-fluoro-N-(3-hydroxy-2-methylpropyl)-6-methoxybenzamide
CID 65433658
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-methoxy-N-(2-sulfamoylethyl)benzamide
CID 138016679
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
5-[(2-fluoro-6-methoxybenzoyl)amino]-4-methylpentanoic acid
CID 82010234

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide?
The IUPAC name of 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide (CID 111540038) is 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide.
What is the SMILES notation for 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide?
The canonical SMILES for 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide is COc1cccc(Cl)c1C(=O)NCC(C)CC(C)O.
What is the InChIKey of 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide?
The InChIKey is IFIDULOVFIGUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(7-10(2)17)8-16-14(18)13-11(15)5-4-6-12(13)19-3/h4-6,9-10,17H,7-8H2,1-3H3,(H,16,18).
What are the key properties of 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide?
2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-hydroxy-2-methylpentyl)-6-methoxybenzamide is sourced from PubChem (CID 111540038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).