4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide

C15H16BrN3O — CID 63357345

IUPAC4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN3O/c1-18-15(20)11-5-6-13(17)14(8-11)19-9-10-3-2-4-12(16)7-10/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyUVQNXTCTSCYZNN-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.00
Rot. Bonds4

About 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide

4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide (PubChem CID 63357345) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
PubChem CID63357345
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(NCc2cccc(Br)c2)c1
InChIInChI=1S/C15H16BrN3O/c1-18-15(20)11-5-6-13(17)14(8-11)19-9-10-3-2-4-12(16)7-10/h2-8,19H,9,17H2,1H3,(H,18,20)
InChIKeyUVQNXTCTSCYZNN-UHFFFAOYSA-N
XLogP3.00
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.00
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

4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
CID 82828617
4-amino-3-[(2-methoxy-2-methylpropyl)amino]-N-methylbenzamide
CID 104758803
3-amino-N-[(3-bromophenyl)methyl]-4-methylbenzamide
CID 61400942
3-[(3-fluorophenyl)methylamino]-N,4-dimethylbenzamide
CID 33008607
4-amino-N-methyl-3-(1H-pyrazol-5-ylmethylamino)benzamide
CID 63357258
2-amino-3-[(3-bromophenyl)methylamino]benzamide
CID 113332669
3-bromo-4-[(3-bromophenyl)methylamino]benzoic acid
CID 82800352
3-amino-N-[(3-bromophenyl)methyl]-4-fluorobenzamide
CID 61400953
3-amino-4-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231481
3-[(3-bromophenyl)methylamino]-4-nitrobenzamide
CID 82991880
3-[(3-cyanophenyl)methylamino]-N,4-dimethylbenzamide
CID 43726891

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide (CID 63357345) is 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide is CNC(=O)c1ccc(N)c(NCc2cccc(Br)c2)c1.
What is the InChIKey of 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide?
The InChIKey is UVQNXTCTSCYZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c1-18-15(20)11-5-6-13(17)14(8-11)19-9-10-3-2-4-12(16)7-10/h2-8,19H,9,17H2,1H3,(H,18,20).
What are the key properties of 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide?
4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide has a molecular weight of 334.22 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 63357345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).