3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide

C16H17ClN2O2 — CID 102664294

IUPAC3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(N)=O)cc2Cl)cc1C
InChIInChI=1S/C16H17ClN2O2/c1-10-7-13(5-6-15(10)21-2)19-9-12-4-3-11(16(18)20)8-14(12)17/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyZNHQUOZXRJJSAM-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.37
Rot. Bonds5

About 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide

3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide (PubChem CID 102664294) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
PubChem CID102664294
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
SMILESCOc1ccc(NCc2ccc(C(N)=O)cc2Cl)cc1C
InChIInChI=1S/C16H17ClN2O2/c1-10-7-13(5-6-15(10)21-2)19-9-12-4-3-11(16(18)20)8-14(12)17/h3-8,19H,9H2,1-2H3,(H2,18,20)
InChIKeyZNHQUOZXRJJSAM-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide
CID 102663836
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
4-[(4-chloro-3-methoxyanilino)methyl]-3-fluorobenzamide
CID 107621511
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzonitrile
CID 102664295
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
N-[(2,4-dichlorophenyl)methyl]-3,4-dimethoxyaniline
CID 742591
4-methoxy-3-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 63455858
3-[(2,4-dimethoxyphenyl)methylamino]benzamide
CID 28650467
3-chloro-N-[(2-chloro-4-methylphenyl)methyl]-4-methoxyaniline
CID 106862038
4-[(4-methoxy-3-methylanilino)methyl]benzene-1,2,3-triol
CID 103952978
3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide (CID 102664294) is 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide is COc1ccc(NCc2ccc(C(N)=O)cc2Cl)cc1C.
What is the InChIKey of 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide?
The InChIKey is ZNHQUOZXRJJSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-10-7-13(5-6-15(10)21-2)19-9-12-4-3-11(16(18)20)8-14(12)17/h3-8,19H,9H2,1-2H3,(H2,18,20).
What are the key properties of 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide?
3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide has a molecular weight of 304.78 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide is sourced from PubChem (CID 102664294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).