3,5-diamino-N-[(2-bromophenyl)methyl]benzamide

C14H14BrN3O — CID 61401694

IUPAC3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
SMILESNc1cc(N)cc(C(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C14H14BrN3O/c15-13-4-2-1-3-9(13)8-18-14(19)10-5-11(16)7-12(17)6-10/h1-7H,8,16-17H2,(H,18,19)
InChIKeyQOBUQPYZVHCPDR-UHFFFAOYSA-N
MW320.19 g/mol
LogP2.54
Rot. Bonds3

About 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide

3,5-diamino-N-[(2-bromophenyl)methyl]benzamide (PubChem CID 61401694) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide.

Molecular Properties

Compound Name3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
PubChem CID61401694
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name3,5-diamino-N-[(2-bromophenyl)methyl]benzamide
SMILESNc1cc(N)cc(C(=O)NCc2ccccc2Br)c1
InChIInChI=1S/C14H14BrN3O/c15-13-4-2-1-3-9(13)8-18-14(19)10-5-11(16)7-12(17)6-10/h1-7H,8,16-17H2,(H,18,19)
InChIKeyQOBUQPYZVHCPDR-UHFFFAOYSA-N
XLogP2.54
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 52.54
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

3-amino-N-[(2-bromophenyl)methyl]-4-chlorobenzamide
CID 61401723
3-(aminomethyl)-N-[(2-bromophenyl)methyl]benzamide
CID 115161179
N-[(2-bromophenyl)methyl]-3-methylbenzamide
CID 60739134
N-[(2-bromophenyl)methyl]-3,4-dimethylbenzamide
CID 60739135
3-amino-N-[(2-bromophenyl)methyl]-4-methoxybenzamide
CID 61401758
2-amino-N-[(2-bromophenyl)methyl]-5-hydroxybenzamide
CID 107074846
N-[(2-bromophenyl)methyl]-4-(N'-hydroxycarbamimidoyl)benzamide
CID 76903721
N-[(2-bromophenyl)methyl]-5-hydroxypyridine-3-carboxamide
CID 63852378
N-[(2-bromophenyl)methyl]-4-hydrazinyl-3-methylbenzamide
CID 63211705
2-amino-N-[(2-bromophenyl)methyl]-1,3-benzothiazole-6-carboxamide
CID 65349351
4-amino-N-[(2-bromophenyl)methyl]-1-ethylpyrrole-2-carboxamide
CID 61401810
3,5-dibromo-N-[(2-hydroxyphenyl)methyl]benzamide
CID 103909337

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide?
The IUPAC name of 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide (CID 61401694) is 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide.
What is the SMILES notation for 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide?
The canonical SMILES for 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide is Nc1cc(N)cc(C(=O)NCc2ccccc2Br)c1.
What is the InChIKey of 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide?
The InChIKey is QOBUQPYZVHCPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-13-4-2-1-3-9(13)8-18-14(19)10-5-11(16)7-12(17)6-10/h1-7H,8,16-17H2,(H,18,19).
What are the key properties of 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide?
3,5-diamino-N-[(2-bromophenyl)methyl]benzamide has a molecular weight of 320.19 g/mol, XLogP of 2.54, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-[(2-bromophenyl)methyl]benzamide is sourced from PubChem (CID 61401694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).