2-amino-3-[(3-bromophenyl)methylamino]benzamide

C14H14BrN3O — CID 113332669

IUPAC2-amino-3-[(3-bromophenyl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2cccc(Br)c2)c1N
InChIInChI=1S/C14H14BrN3O/c15-10-4-1-3-9(7-10)8-18-12-6-2-5-11(13(12)16)14(17)19/h1-7,18H,8,16H2,(H2,17,19)
InChIKeyIKMUHNNPZDWRFY-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.74
Rot. Bonds4

About 2-amino-3-[(3-bromophenyl)methylamino]benzamide

2-amino-3-[(3-bromophenyl)methylamino]benzamide (PubChem CID 113332669) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 2-amino-3-[(3-bromophenyl)methylamino]benzamide.

Molecular Properties

Compound Name2-amino-3-[(3-bromophenyl)methylamino]benzamide
PubChem CID113332669
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name2-amino-3-[(3-bromophenyl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2cccc(Br)c2)c1N
InChIInChI=1S/C14H14BrN3O/c15-10-4-1-3-9(7-10)8-18-12-6-2-5-11(13(12)16)14(17)19/h1-7,18H,8,16H2,(H2,17,19)
InChIKeyIKMUHNNPZDWRFY-UHFFFAOYSA-N
XLogP2.74
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.74
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

1-[2-[(3-bromophenyl)methylamino]phenyl]ethanone
CID 102579783
2-amino-3-(pyridin-4-ylmethylamino)benzamide
CID 115544647
2-[2-[(3-bromophenyl)methylamino]phenyl]sulfanylacetamide
CID 43231954
2-amino-3-[2-(3-methylphenyl)ethylamino]benzamide
CID 115545852
2-amino-3-(5-bromo-2-chloroanilino)benzamide
CID 113332933
3-[(3-bromophenyl)methylamino]-4-nitrobenzamide
CID 82991880
methyl 2-amino-3-[(3-methoxyphenyl)methylamino]benzoate
CID 115545001
2-[[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]methylamino]benzamide
CID 171062625
4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
CID 63357345
3-bromo-4-[(3-bromophenyl)methylamino]benzoic acid
CID 82800352
3-[(3-hydroxyphenyl)methylamino]-2-methylbenzamide
CID 43694119
ethyl 3-amino-2-[(3-bromophenyl)methylamino]benzoate
CID 115934255

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(3-bromophenyl)methylamino]benzamide?
The IUPAC name of 2-amino-3-[(3-bromophenyl)methylamino]benzamide (CID 113332669) is 2-amino-3-[(3-bromophenyl)methylamino]benzamide.
What is the SMILES notation for 2-amino-3-[(3-bromophenyl)methylamino]benzamide?
The canonical SMILES for 2-amino-3-[(3-bromophenyl)methylamino]benzamide is NC(=O)c1cccc(NCc2cccc(Br)c2)c1N.
What is the InChIKey of 2-amino-3-[(3-bromophenyl)methylamino]benzamide?
The InChIKey is IKMUHNNPZDWRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-10-4-1-3-9(7-10)8-18-12-6-2-5-11(13(12)16)14(17)19/h1-7,18H,8,16H2,(H2,17,19).
What are the key properties of 2-amino-3-[(3-bromophenyl)methylamino]benzamide?
2-amino-3-[(3-bromophenyl)methylamino]benzamide has a molecular weight of 320.19 g/mol, XLogP of 2.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(3-bromophenyl)methylamino]benzamide is sourced from PubChem (CID 113332669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).