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

C14H13Cl2N3O — CID 107195667

IUPAC5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCc1cccc(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c15-9-3-1-2-8(4-9)7-19-13-11(14(18)20)5-10(17)6-12(13)16/h1-6,19H,7,17H2,(H2,18,20)
InChIKeyXCVHFZUOPDTQOR-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.29
Rot. Bonds4

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

5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide (PubChem CID 107195667) has the molecular formula C14H13Cl2N3O and a molecular weight of 310.18 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
PubChem CID107195667
Molecular FormulaC14H13Cl2N3O
Molecular Weight310.18 g/mol
Exact Mass309.04
IUPAC Name5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide
SMILESNC(=O)c1cc(N)cc(Cl)c1NCc1cccc(Cl)c1
InChIInChI=1S/C14H13Cl2N3O/c15-9-3-1-2-8(4-9)7-19-13-11(14(18)20)5-10(17)6-12(13)16/h1-6,19H,7,17H2,(H2,18,20)
InChIKeyXCVHFZUOPDTQOR-UHFFFAOYSA-N
XLogP3.29
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.29
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-methylphenyl)methylamino]benzamide
CID 107194342
5-amino-3-chloro-2-(3-phenylpropylamino)benzamide
CID 107194330
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
2-[(3-aminophenyl)methylamino]-5-chlorobenzamide
CID 62500264
5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
CID 107194513
5-amino-3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]benzamide
CID 107196471
ethyl 5-amino-2-[(3-chlorophenyl)methylamino]benzoate
CID 62532105
2,6-dichloro-1-N-[(3-methylphenyl)methyl]benzene-1,4-diamine
CID 106890024
2,6-dichloro-N-[(3-chlorophenyl)methyl]-4-fluoroaniline
CID 83077123
N-[(3-chlorophenyl)methyl]-2,6-diethylaniline
CID 4712071
5-amino-3-chloro-2-(2-sulfamoylethylamino)benzamide
CID 107194123
3-chloro-4-[(3-chlorophenyl)methylamino]benzoic acid
CID 63087800

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide (CID 107195667) is 5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide is NC(=O)c1cc(N)cc(Cl)c1NCc1cccc(Cl)c1.
What is the InChIKey of 5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide?
The InChIKey is XCVHFZUOPDTQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3O/c15-9-3-1-2-8(4-9)7-19-13-11(14(18)20)5-10(17)6-12(13)16/h1-6,19H,7,17H2,(H2,18,20).
What are the key properties of 5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide?
5-amino-3-chloro-2-[(3-chlorophenyl)methylamino]benzamide has a molecular weight of 310.18 g/mol, XLogP of 3.29, 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-chlorophenyl)methylamino]benzamide is sourced from PubChem (CID 107195667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).