2-[(2,4,6-tribromoanilino)methyl]benzamide

C14H11Br3N2O — CID 28992052

IUPAC2-[(2,4,6-tribromoanilino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H11Br3N2O/c15-9-5-11(16)13(12(17)6-9)19-7-8-3-1-2-4-10(8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyJPOKPTLKQOOSPD-UHFFFAOYSA-N
MW462.97 g/mol
LogP4.69
Rot. Bonds4

About 2-[(2,4,6-tribromoanilino)methyl]benzamide

2-[(2,4,6-tribromoanilino)methyl]benzamide (PubChem CID 28992052) has the molecular formula C14H11Br3N2O and a molecular weight of 462.97 g/mol. Its IUPAC name is 2-[(2,4,6-tribromoanilino)methyl]benzamide.

Molecular Properties

Compound Name2-[(2,4,6-tribromoanilino)methyl]benzamide
PubChem CID28992052
Molecular FormulaC14H11Br3N2O
Molecular Weight462.97 g/mol
Exact Mass459.84
IUPAC Name2-[(2,4,6-tribromoanilino)methyl]benzamide
SMILESNC(=O)c1ccccc1CNc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C14H11Br3N2O/c15-9-5-11(16)13(12(17)6-9)19-7-8-3-1-2-4-10(8)14(18)20/h1-6,19H,7H2,(H2,18,20)
InChIKeyJPOKPTLKQOOSPD-UHFFFAOYSA-N
XLogP4.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.97
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromo-2,6-dimethylanilino)methyl]benzamide
CID 28596653
2-[(2-bromo-4,6-difluoroanilino)methyl]benzamide
CID 43347758
2-[(2,4,6-tribromoanilino)methyl]phenol
CID 28991854
2-[(4-bromo-2-methylanilino)methyl]benzamide
CID 28572427
2-[(2,4-dibromo-5-methoxyanilino)methyl]benzamide
CID 103413096
2-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 62815579
2-[(3,4,5-trifluoroanilino)methyl]benzamide
CID 62809921
2,4,6-tribromo-N-[(2-methoxyphenyl)methyl]aniline
CID 28991915
2-[(4-chloroanilino)methyl]benzamide
CID 28580780
2-(2,3,5-tribromophenyl)benzamide
CID 175883829
2,4,6-tribromo-N-[(2,3-dimethylphenyl)methyl]aniline
CID 63425775
2-[(2,3-dichloroanilino)methyl]benzamide
CID 28774931

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-tribromoanilino)methyl]benzamide?
The IUPAC name of 2-[(2,4,6-tribromoanilino)methyl]benzamide (CID 28992052) is 2-[(2,4,6-tribromoanilino)methyl]benzamide.
What is the SMILES notation for 2-[(2,4,6-tribromoanilino)methyl]benzamide?
The canonical SMILES for 2-[(2,4,6-tribromoanilino)methyl]benzamide is NC(=O)c1ccccc1CNc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-[(2,4,6-tribromoanilino)methyl]benzamide?
The InChIKey is JPOKPTLKQOOSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br3N2O/c15-9-5-11(16)13(12(17)6-9)19-7-8-3-1-2-4-10(8)14(18)20/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 2-[(2,4,6-tribromoanilino)methyl]benzamide?
2-[(2,4,6-tribromoanilino)methyl]benzamide has a molecular weight of 462.97 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-tribromoanilino)methyl]benzamide is sourced from PubChem (CID 28992052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).