4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide

C15H15ClN2O2 — CID 104782321

IUPAC4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1N
InChIInChI=1S/C15H15ClN2O2/c1-9-3-5-11(8-12(9)16)18-15(19)10-4-6-13(17)14(7-10)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyFEMIVHHEXUBDDJ-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.49
Rot. Bonds3

About 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide

4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide (PubChem CID 104782321) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
PubChem CID104782321
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1N
InChIInChI=1S/C15H15ClN2O2/c1-9-3-5-11(8-12(9)16)18-15(19)10-4-6-13(17)14(7-10)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyFEMIVHHEXUBDDJ-UHFFFAOYSA-N
XLogP3.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156
N-(3-amino-4-methylphenyl)-3,4-dimethoxybenzamide
CID 22732292
4-amino-3-methoxy-N-(4-methoxyphenyl)benzamide
CID 89028367
4-butoxy-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide
CID 2187837
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
N-(3-chloro-4-methoxyphenyl)-3,4-dimethoxybenzamide
CID 795184
4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
CID 143165536
N-(3-chloro-4-methylphenyl)-4-methoxy-3-(methylsulfamoyl)benzamide
CID 40742199
3,5-dichloro-N-(3-chloro-4-methylphenyl)-4-methoxybenzamide
CID 672349
N-(3-amino-4-methylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79726156
3-amino-N-(4-chloro-3-methoxyphenyl)-4-methoxybenzamide
CID 107620662
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide?
The IUPAC name of 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide (CID 104782321) is 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide is COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1N.
What is the InChIKey of 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide?
The InChIKey is FEMIVHHEXUBDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c1-9-3-5-11(8-12(9)16)18-15(19)10-4-6-13(17)14(7-10)20-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide?
4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide has a molecular weight of 290.75 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-methylphenyl)-3-methoxybenzamide is sourced from PubChem (CID 104782321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).