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

C15H15BrN2O — CID 55201932

IUPAC3-[(3-bromo-4-methylanilino)methyl]benzamide
SMILESCc1ccc(NCc2cccc(C(N)=O)c2)cc1Br
InChIInChI=1S/C15H15BrN2O/c1-10-5-6-13(8-14(10)16)18-9-11-3-2-4-12(7-11)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyOPQUVSIUVRZSJK-UHFFFAOYSA-N
MW319.20 g/mol
LogP3.47
Rot. Bonds4

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

3-[(3-bromo-4-methylanilino)methyl]benzamide (PubChem CID 55201932) has the molecular formula C15H15BrN2O and a molecular weight of 319.20 g/mol. Its IUPAC name is 3-[(3-bromo-4-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-methylanilino)methyl]benzamide
PubChem CID55201932
Molecular FormulaC15H15BrN2O
Molecular Weight319.20 g/mol
Exact Mass318.04
IUPAC Name3-[(3-bromo-4-methylanilino)methyl]benzamide
SMILESCc1ccc(NCc2cccc(C(N)=O)c2)cc1Br
InChIInChI=1S/C15H15BrN2O/c1-10-5-6-13(8-14(10)16)18-9-11-3-2-4-12(7-11)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyOPQUVSIUVRZSJK-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.20
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(3-bromo-4-methylanilino)methyl]-3-fluorobenzamide
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3-[(naphthalen-2-ylamino)methyl]benzamide
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3-[[(5-methyl-3-pyridinyl)amino]methyl]benzamide
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3-[(2,4,6-trimethylanilino)methyl]benzamide
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2-[3-[(3-bromo-4-methylphenyl)methylamino]phenoxy]acetamide
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3-[(4-chloro-3-fluoroanilino)methyl]benzamide
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3-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-methylanilino)methyl]benzamide?
The IUPAC name of 3-[(3-bromo-4-methylanilino)methyl]benzamide (CID 55201932) is 3-[(3-bromo-4-methylanilino)methyl]benzamide.
What is the SMILES notation for 3-[(3-bromo-4-methylanilino)methyl]benzamide?
The canonical SMILES for 3-[(3-bromo-4-methylanilino)methyl]benzamide is Cc1ccc(NCc2cccc(C(N)=O)c2)cc1Br.
What is the InChIKey of 3-[(3-bromo-4-methylanilino)methyl]benzamide?
The InChIKey is OPQUVSIUVRZSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O/c1-10-5-6-13(8-14(10)16)18-9-11-3-2-4-12(7-11)15(17)19/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 3-[(3-bromo-4-methylanilino)methyl]benzamide?
3-[(3-bromo-4-methylanilino)methyl]benzamide has a molecular weight of 319.20 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-methylanilino)methyl]benzamide is sourced from PubChem (CID 55201932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).