4-[(3,4-dibromophenyl)methylamino]benzamide

C14H12Br2N2O — CID 115753010

IUPAC4-[(3,4-dibromophenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C14H12Br2N2O/c15-12-6-1-9(7-13(12)16)8-18-11-4-2-10(3-5-11)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyDHEQLNFRDDGTQX-UHFFFAOYSA-N
MW384.07 g/mol
LogP3.92
Rot. Bonds4

About 4-[(3,4-dibromophenyl)methylamino]benzamide

4-[(3,4-dibromophenyl)methylamino]benzamide (PubChem CID 115753010) has the molecular formula C14H12Br2N2O and a molecular weight of 384.07 g/mol. Its IUPAC name is 4-[(3,4-dibromophenyl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(3,4-dibromophenyl)methylamino]benzamide
PubChem CID115753010
Molecular FormulaC14H12Br2N2O
Molecular Weight384.07 g/mol
Exact Mass381.93
IUPAC Name4-[(3,4-dibromophenyl)methylamino]benzamide
SMILESNC(=O)c1ccc(NCc2ccc(Br)c(Br)c2)cc1
InChIInChI=1S/C14H12Br2N2O/c15-12-6-1-9(7-13(12)16)8-18-11-4-2-10(3-5-11)14(17)19/h1-7,18H,8H2,(H2,17,19)
InChIKeyDHEQLNFRDDGTQX-UHFFFAOYSA-N
XLogP3.92
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.07
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
[4-[(3,4-dibromophenyl)methylamino]phenyl]methanol
CID 113483314
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
4-[(2-bromo-4-fluorophenyl)methylamino]benzamide
CID 28576301
3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide
CID 115743476
4-[(3-methylanilino)methyl]benzamide
CID 28564307
4-[(3,4-dichloroanilino)methyl]benzamide
CID 28577960
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683
4-[[(5-bromo-6-chloro-3-pyridinyl)amino]methyl]benzamide
CID 75446192
4-[(4-methyl-3-nitrophenyl)methylamino]benzamide
CID 43760410
methyl 4-[(3-bromo-4-hydroxyphenyl)methylamino]benzoate
CID 63044845
4-[(3-fluoro-5-methylanilino)methyl]benzamide
CID 79054394

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dibromophenyl)methylamino]benzamide?
The IUPAC name of 4-[(3,4-dibromophenyl)methylamino]benzamide (CID 115753010) is 4-[(3,4-dibromophenyl)methylamino]benzamide.
What is the SMILES notation for 4-[(3,4-dibromophenyl)methylamino]benzamide?
The canonical SMILES for 4-[(3,4-dibromophenyl)methylamino]benzamide is NC(=O)c1ccc(NCc2ccc(Br)c(Br)c2)cc1.
What is the InChIKey of 4-[(3,4-dibromophenyl)methylamino]benzamide?
The InChIKey is DHEQLNFRDDGTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O/c15-12-6-1-9(7-13(12)16)8-18-11-4-2-10(3-5-11)14(17)19/h1-7,18H,8H2,(H2,17,19).
What are the key properties of 4-[(3,4-dibromophenyl)methylamino]benzamide?
4-[(3,4-dibromophenyl)methylamino]benzamide has a molecular weight of 384.07 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dibromophenyl)methylamino]benzamide is sourced from PubChem (CID 115753010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).