4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide

C16H17ClN2O2 — CID 102663180

IUPAC4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
SMILESCc1cc(OCc2ccc(C(N)=O)cc2Cl)c(C)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-9-6-15(10(2)5-14(9)18)21-8-12-4-3-11(16(19)20)7-13(12)17/h3-7H,8,18H2,1-2H3,(H2,19,20)
InChIKeyOIBBLXANZGNQRF-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.22
Rot. Bonds4

About 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide

4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide (PubChem CID 102663180) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
PubChem CID102663180
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide
SMILESCc1cc(OCc2ccc(C(N)=O)cc2Cl)c(C)cc1N
InChIInChI=1S/C16H17ClN2O2/c1-9-6-15(10(2)5-14(9)18)21-8-12-4-3-11(16(19)20)7-13(12)17/h3-7H,8,18H2,1-2H3,(H2,19,20)
InChIKeyOIBBLXANZGNQRF-UHFFFAOYSA-N
XLogP3.22
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide 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-chloro-4-[(2-methylphenoxy)methyl]benzamide
CID 102670666
4-[(2-amino-6-methylphenoxy)methyl]-3-chlorobenzamide
CID 102663198
4-[(5-amino-2-methoxyphenoxy)methyl]-3-chlorobenzamide
CID 102663136
3-chloro-4-[(2-fluoro-5-methylphenoxy)methyl]benzamide
CID 102670681
3-amino-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 43376923
4-[(2-amino-6-chlorophenoxy)methyl]-3-chlorobenzamide
CID 107716241
4-[(2-amino-6-bromo-4-fluorophenoxy)methyl]-3-chlorobenzamide
CID 102663149
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
4-[(2,4-dimethylphenoxy)methyl]-3-methylbenzamide
CID 114486236
(4-carbamoyl-2-chlorophenyl)methyl 4-aminobenzoate
CID 102669562
3-chloro-4-[[4-(hydroxymethyl)phenoxy]methyl]benzamide
CID 102668814
4-[(6-bromo-3-pyridinyl)oxymethyl]-3-chlorobenzamide
CID 107396670

Frequently Asked Questions

What is the IUPAC name of 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide (CID 102663180) is 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide is Cc1cc(OCc2ccc(C(N)=O)cc2Cl)c(C)cc1N.
What is the InChIKey of 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide?
The InChIKey is OIBBLXANZGNQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-6-15(10(2)5-14(9)18)21-8-12-4-3-11(16(19)20)7-13(12)17/h3-7H,8,18H2,1-2H3,(H2,19,20).
What are the key properties of 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide?
4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide has a molecular weight of 304.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-amino-2,5-dimethylphenoxy)methyl]-3-chlorobenzamide is sourced from PubChem (CID 102663180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).