5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide

C15H16ClN3O — CID 107194342

IUPAC5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide
SMILESCc1cccc(CNc2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C15H16ClN3O/c1-9-3-2-4-10(5-9)8-19-14-12(15(18)20)6-11(17)7-13(14)16/h2-7,19H,8,17H2,1H3,(H2,18,20)
InChIKeyICHFXIOULMQGJF-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.94
Rot. Bonds4

About 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide

5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide (PubChem CID 107194342) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide
PubChem CID107194342
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide
SMILESCc1cccc(CNc2c(Cl)cc(N)cc2C(N)=O)c1
InChIInChI=1S/C15H16ClN3O/c1-9-3-2-4-10(5-9)8-19-14-12(15(18)20)6-11(17)7-13(14)16/h2-7,19H,8,17H2,1H3,(H2,18,20)
InChIKeyICHFXIOULMQGJF-UHFFFAOYSA-N
XLogP2.94
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
CID 107195667
2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 106890024
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
CID 107194330
4-amino-2-chloro-N-[(3-methylphenyl)methyl]benzamide
CID 28748811
5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide
CID 107196471
(3-methylphenyl)methyl 5-amino-2,3-dichlorobenzoate
CID 107199230
5-amino-3-chloro-2-(2,4,6-trimethylanilino)benzamide
CID 107192577
2-chloro-5-(3-methylphenyl)benzamide
CID 151079507
(3-methylphenyl)methylurea
CID 60776531
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
5-amino-3-chloro-2-(N,3-dimethylanilino)benzamide
CID 107195569

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide (CID 107194342) is 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide is Cc1cccc(CNc2c(Cl)cc(N)cc2C(N)=O)c1.
What is the InChIKey of 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide?
The InChIKey is ICHFXIOULMQGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-3-2-4-10(5-9)8-19-14-12(15(18)20)6-11(17)7-13(14)16/h2-7,19H,8,17H2,1H3,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide?
5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide has a molecular weight of 289.77 g/mol, XLogP of 2.94, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(3-methylphenyl)methylamino]benzamide is sourced from PubChem (CID 107194342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).