3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide

C14H21ClN2O2 — CID 107150564

IUPAC3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)7-10(18)8-17-13(19)9-4-5-11(15)12(16)6-9/h4-6,10,18H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyXMHAIGKJUGJBCL-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.45
Rot. Bonds4

About 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide

3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide (PubChem CID 107150564) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
PubChem CID107150564
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide
SMILESCC(C)(C)CC(O)CNC(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C14H21ClN2O2/c1-14(2,3)7-10(18)8-17-13(19)9-4-5-11(15)12(16)6-9/h4-6,10,18H,7-8,16H2,1-3H3,(H,17,19)
InChIKeyXMHAIGKJUGJBCL-UHFFFAOYSA-N
XLogP2.45
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide 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

3-amino-4-chloro-N-(2-methylpropyl)benzamide
CID 838194
3-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)-4-methylbenzamide
CID 103957156
3-amino-4-chloro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63982617
N-(2-hydroxy-4,4-dimethylpentyl)-4-iodobenzamide
CID 103676431
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150898
3-amino-4-chloro-N-(2-methoxy-2-methylpropyl)benzamide
CID 104758273
N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307
3-amino-4-chloro-N-(2-hydroxy-2-thiophen-3-ylethyl)benzamide
CID 106434334
4-amino-3-[(2-hydroxy-4,4-dimethylpentyl)amino]-N-methylbenzamide
CID 107150888
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946
3-amino-4-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457643
3-amino-4-[(2-hydroxy-4,4-dimethylpentyl)amino]-N,N-dimethylbenzamide
CID 107151012

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide (CID 107150564) is 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide is CC(C)(C)CC(O)CNC(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
The InChIKey is XMHAIGKJUGJBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-14(2,3)7-10(18)8-17-13(19)9-4-5-11(15)12(16)6-9/h4-6,10,18H,7-8,16H2,1-3H3,(H,17,19).
What are the key properties of 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide?
3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide has a molecular weight of 284.79 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-hydroxy-4,4-dimethylpentyl)benzamide is sourced from PubChem (CID 107150564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).