3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide

C15H15BrN2O2 — CID 63045684

IUPAC3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(O)c(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-17-15(20)11-3-2-4-12(8-11)18-9-10-5-6-14(19)13(16)7-10/h2-8,18-19H,9H2,1H3,(H,17,20)
InChIKeyOJEKDZUJBVPFSG-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.13
Rot. Bonds4

About 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide

3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide (PubChem CID 63045684) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide.

Molecular Properties

Compound Name3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
PubChem CID63045684
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
SMILESCNC(=O)c1cccc(NCc2ccc(O)c(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-17-15(20)11-3-2-4-12(8-11)18-9-10-5-6-14(19)13(16)7-10/h2-8,18-19H,9H2,1H3,(H,17,20)
InChIKeyOJEKDZUJBVPFSG-UHFFFAOYSA-N
XLogP3.13
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide
CID 115743476
3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
CID 83235615
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
N-methyl-3-(pyridin-4-ylmethylamino)benzamide
CID 28650269
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224
2-bromo-4-[[3-(hydroxymethyl)anilino]methyl]phenol
CID 63046915
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756566
methyl 4-[(3-bromo-4-hydroxyphenyl)methylamino]benzoate
CID 63044845
2-bromo-4-[(3-chloro-4-hydroxyanilino)methyl]phenol
CID 107677992
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
N-methyl-3-[(2-methylphenyl)methylamino]benzamide
CID 28650229

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide?
The IUPAC name of 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide (CID 63045684) is 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide.
What is the SMILES notation for 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide?
The canonical SMILES for 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide is CNC(=O)c1cccc(NCc2ccc(O)c(Br)c2)c1.
What is the InChIKey of 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide?
The InChIKey is OJEKDZUJBVPFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-17-15(20)11-3-2-4-12(8-11)18-9-10-5-6-14(19)13(16)7-10/h2-8,18-19H,9H2,1H3,(H,17,20).
What are the key properties of 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide?
3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide is sourced from PubChem (CID 63045684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).