N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide

C14H20ClNO3 — CID 114151462

IUPACN-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC(C)CCl)cc1O
InChIInChI=1S/C14H20ClNO3/c1-10(9-15)4-3-7-16-14(18)11-5-6-13(19-2)12(17)8-11/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyHZIXXOIGCLRZML-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.79
Rot. Bonds7

About N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide

N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide (PubChem CID 114151462) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide.

Molecular Properties

Compound NameN-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
PubChem CID114151462
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NCCCC(C)CCl)cc1O
InChIInChI=1S/C14H20ClNO3/c1-10(9-15)4-3-7-16-14(18)11-5-6-13(19-2)12(17)8-11/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,16,18)
InChIKeyHZIXXOIGCLRZML-UHFFFAOYSA-N
XLogP2.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminopentyl)-3-hydroxy-4-methoxybenzamide
CID 106122205
3-hydroxy-4-methoxy-N-(3-methylbutyl)benzamide
CID 79600016
N-(5-chloro-4-methylpentyl)-4-hydroxy-3-methylbenzamide
CID 106156836
N-(3-chloro-4-methoxybutyl)-3-hydroxy-4-methoxybenzamide
CID 106244636
N-(4-chloropentyl)-3,4-dimethoxybenzamide
CID 106129860
N-(2,2-dimethoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 79726174
4-ethoxy-N-(5-hydroxy-4-methylpentyl)-3-methoxybenzamide
CID 103861912
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
N-ethyl-3-hydroxy-4-methoxybenzamide
CID 79600193
N-[3-(2-aminoethoxy)propyl]-3-hydroxy-4-methoxybenzamide
CID 106307767
N-[2-(ethylamino)ethyl]-3-hydroxy-4-methoxybenzamide
CID 79733239
N-(3-chloro-2-methylpropyl)-3-fluoro-4-methoxybenzamide
CID 114302762

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide?
The IUPAC name of N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide (CID 114151462) is N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide.
What is the SMILES notation for N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide?
The canonical SMILES for N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide is COc1ccc(C(=O)NCCCC(C)CCl)cc1O.
What is the InChIKey of N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide?
The InChIKey is HZIXXOIGCLRZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-10(9-15)4-3-7-16-14(18)11-5-6-13(19-2)12(17)8-11/h5-6,8,10,17H,3-4,7,9H2,1-2H3,(H,16,18).
What are the key properties of N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide?
N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-4-methylpentyl)-3-hydroxy-4-methoxybenzamide is sourced from PubChem (CID 114151462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).