3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide

C14H11Br2ClN2O — CID 107598781

IUPAC3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2c(Br)cccc2Br)c(Cl)c1
InChIInChI=1S/C14H11Br2ClN2O/c15-10-2-1-3-11(16)13(10)19-7-9-5-4-8(14(18)20)6-12(9)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyQDHNKZFNYZJCEQ-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.58
Rot. Bonds4

About 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide

3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide (PubChem CID 107598781) has the molecular formula C14H11Br2ClN2O and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
PubChem CID107598781
Molecular FormulaC14H11Br2ClN2O
Molecular Weight418.52 g/mol
Exact Mass415.89
IUPAC Name3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
SMILESNC(=O)c1ccc(CNc2c(Br)cccc2Br)c(Cl)c1
InChIInChI=1S/C14H11Br2ClN2O/c15-10-2-1-3-11(16)13(10)19-7-9-5-4-8(14(18)20)6-12(9)17/h1-6,19H,7H2,(H2,18,20)
InChIKeyQDHNKZFNYZJCEQ-UHFFFAOYSA-N
XLogP4.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide
CID 102663836
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
4-[(2-bromo-6-chloro-4-fluoroanilino)methyl]-3-fluorobenzamide
CID 107611393
3-chloro-4-[(2,4,5-trifluoroanilino)methyl]benzamide
CID 102664471
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide
CID 102664164
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
CID 102665063
3-chloro-4-[(2-cyano-3-methylanilino)methyl]benzamide
CID 107804640
2-bromo-N-[(2,4-dichlorophenyl)methyl]-6-fluoroaniline
CID 107597860
3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
CID 107807922
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide?
The IUPAC name of 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide (CID 107598781) is 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide?
The canonical SMILES for 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide is NC(=O)c1ccc(CNc2c(Br)cccc2Br)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide?
The InChIKey is QDHNKZFNYZJCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClN2O/c15-10-2-1-3-11(16)13(10)19-7-9-5-4-8(14(18)20)6-12(9)17/h1-6,19H,7H2,(H2,18,20).
What are the key properties of 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide?
3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide has a molecular weight of 418.52 g/mol, XLogP of 4.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide is sourced from PubChem (CID 107598781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).