4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide

C15H14BrClN2O — CID 102663836

IUPAC4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide
SMILESCc1cc(NCc2ccc(C(N)=O)cc2Cl)ccc1Br
InChIInChI=1S/C15H14BrClN2O/c1-9-6-12(4-5-13(9)16)19-8-11-3-2-10(15(18)20)7-14(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyPATHIZGYRFXSQH-UHFFFAOYSA-N
MW353.65 g/mol
LogP4.12
Rot. Bonds4

About 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide

4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide (PubChem CID 102663836) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide
PubChem CID102663836
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide
SMILESCc1cc(NCc2ccc(C(N)=O)cc2Cl)ccc1Br
InChIInChI=1S/C15H14BrClN2O/c1-9-6-12(4-5-13(9)16)19-8-11-3-2-10(15(18)20)7-14(11)17/h2-7,19H,8H2,1H3,(H2,18,20)
InChIKeyPATHIZGYRFXSQH-UHFFFAOYSA-N
XLogP4.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(4-methoxy-3-methylanilino)methyl]benzamide
CID 102664294
3-chloro-4-[(3,5-dimethylanilino)methyl]benzamide
CID 102663918
3-chloro-4-[(2,6-dibromoanilino)methyl]benzamide
CID 107598781
3-chloro-4-[(2-methylanilino)methyl]benzamide
CID 102663959
4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
CID 63333639
3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109
3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
4-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]benzamide
CID 55362429
4-[[(2-bromo-5-fluorophenyl)methylamino]methyl]-3-chlorobenzamide
CID 102664164
3-chloro-4-[(4-fluoro-3-methylanilino)methyl]-N'-hydroxybenzenecarboximidamide
CID 102667127
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
4-bromo-3-chloro-N-[(2-chloro-4-methylphenyl)methyl]aniline
CID 107619896

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide?
The IUPAC name of 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide (CID 102663836) is 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide.
What is the SMILES notation for 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide?
The canonical SMILES for 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide is Cc1cc(NCc2ccc(C(N)=O)cc2Cl)ccc1Br.
What is the InChIKey of 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide?
The InChIKey is PATHIZGYRFXSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c1-9-6-12(4-5-13(9)16)19-8-11-3-2-10(15(18)20)7-14(11)17/h2-7,19H,8H2,1H3,(H2,18,20).
What are the key properties of 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide?
4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide has a molecular weight of 353.65 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3-methylanilino)methyl]-3-chlorobenzamide is sourced from PubChem (CID 102663836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).