4-[(4-aminophenyl)methylamino]-2-bromobenzamide

C14H14BrN3O — CID 107280913

IUPAC4-[(4-aminophenyl)methylamino]-2-bromobenzamide
SMILESNC(=O)c1ccc(NCc2ccc(N)cc2)cc1Br
InChIInChI=1S/C14H14BrN3O/c15-13-7-11(5-6-12(13)14(17)19)18-8-9-1-3-10(16)4-2-9/h1-7,18H,8,16H2,(H2,17,19)
InChIKeyRPUYJIQNRUGOMX-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.74
Rot. Bonds4

About 4-[(4-aminophenyl)methylamino]-2-bromobenzamide

4-[(4-aminophenyl)methylamino]-2-bromobenzamide (PubChem CID 107280913) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 4-[(4-aminophenyl)methylamino]-2-bromobenzamide.

Molecular Properties

Compound Name4-[(4-aminophenyl)methylamino]-2-bromobenzamide
PubChem CID107280913
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name4-[(4-aminophenyl)methylamino]-2-bromobenzamide
SMILESNC(=O)c1ccc(NCc2ccc(N)cc2)cc1Br
InChIInChI=1S/C14H14BrN3O/c15-13-7-11(5-6-12(13)14(17)19)18-8-9-1-3-10(16)4-2-9/h1-7,18H,8,16H2,(H2,17,19)
InChIKeyRPUYJIQNRUGOMX-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-[(5-amino-2-hydroxyphenyl)methylamino]-2-bromobenzamide
CID 107281125
4-(benzylamino)-2-bromobenzoic acid
CID 107281682
3-(3-bromo-4-carbamoylanilino)propanoic acid
CID 107275324
2-bromo-4-[2-(cyclopropylamino)ethylamino]benzamide
CID 107280649
5-[(4-bromo-3-methylphenyl)methylamino]-2-fluorobenzamide
CID 66474208
5-[(3-bromo-4-chlorophenyl)methylamino]-2-fluorobenzamide
CID 83236587
4-(3-bromo-4-carbamoylanilino)-2-methylbutanoic acid
CID 107275586
4-[(3,4-dibromophenyl)methylamino]benzamide
CID 115753010
2-chloro-4-[[4-(difluoromethyl)phenyl]methylamino]benzamide
CID 115523744
2-chloro-4-[(4-methylsulfanylphenyl)methylamino]benzamide
CID 43736377
4-amino-2-fluoro-N-methylbenzamide;2-fluoro-4-[(4-methoxyphenyl)methylamino]-N-methylbenzamide
CID 158982977
2-[4-[(3-bromo-4-methylanilino)methyl]phenoxy]acetamide
CID 63333006

Frequently Asked Questions

What is the IUPAC name of 4-[(4-aminophenyl)methylamino]-2-bromobenzamide?
The IUPAC name of 4-[(4-aminophenyl)methylamino]-2-bromobenzamide (CID 107280913) is 4-[(4-aminophenyl)methylamino]-2-bromobenzamide.
What is the SMILES notation for 4-[(4-aminophenyl)methylamino]-2-bromobenzamide?
The canonical SMILES for 4-[(4-aminophenyl)methylamino]-2-bromobenzamide is NC(=O)c1ccc(NCc2ccc(N)cc2)cc1Br.
What is the InChIKey of 4-[(4-aminophenyl)methylamino]-2-bromobenzamide?
The InChIKey is RPUYJIQNRUGOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-13-7-11(5-6-12(13)14(17)19)18-8-9-1-3-10(16)4-2-9/h1-7,18H,8,16H2,(H2,17,19).
What are the key properties of 4-[(4-aminophenyl)methylamino]-2-bromobenzamide?
4-[(4-aminophenyl)methylamino]-2-bromobenzamide 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 4-[(4-aminophenyl)methylamino]-2-bromobenzamide is sourced from PubChem (CID 107280913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).