N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide

C14H20ClNO3 — CID 107157421

IUPACN-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(Cl)CC(C)C)cc1O
InChIInChI=1S/C14H20ClNO3/c1-9(2)6-11(15)8-16-14(18)10-4-5-13(19-3)12(17)7-10/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyXLHTXSOCICYGAO-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.78
Rot. Bonds6

About N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide

N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 107157421) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
PubChem CID107157421
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCC(Cl)CC(C)C)cc1O
InChIInChI=1S/C14H20ClNO3/c1-9(2)6-11(15)8-16-14(18)10-4-5-13(19-3)12(17)7-10/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyXLHTXSOCICYGAO-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-methylpentyl)-4-methoxybenzamide
CID 107157339
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
3-hydroxy-4-methoxy-N-[2-(2-methylpropylamino)-2-oxoethyl]benzamide
CID 115674974
N-(2,2-diethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726717
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-(3-chloro-4-methoxybutyl)-3-hydroxy-4-methoxybenzamide
CID 106244636
3-hydroxy-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzamide
CID 103729015
N-(2-amino-3-ethylpentyl)-3-hydroxy-4-methoxybenzamide
CID 106285822
N-(2-chloropropyl)-3-fluoro-4-methoxybenzamide
CID 114296589
N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
CID 114151462
N-(2-chloro-4-methylpentyl)-2-hydroxy-5-methylbenzamide
CID 107157185

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide (CID 107157421) is N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCC(Cl)CC(C)C)cc1O.
What is the InChIKey of N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is XLHTXSOCICYGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-9(2)6-11(15)8-16-14(18)10-4-5-13(19-3)12(17)7-10/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18).
What are the key properties of N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide?
N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 107157421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).