4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide

C15H15BrN2O2 — CID 82828617

IUPAC4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(OCc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-18-15(19)11-5-6-13(17)14(8-11)20-9-10-3-2-4-12(16)7-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyMVYYEYGSYKZBGL-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.97
Rot. Bonds4

About 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide

4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide (PubChem CID 82828617) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
PubChem CID82828617
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC Name4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N)c(OCc2cccc(Br)c2)c1
InChIInChI=1S/C15H15BrN2O2/c1-18-15(19)11-5-6-13(17)14(8-11)20-9-10-3-2-4-12(16)7-10/h2-8H,9,17H2,1H3,(H,18,19)
InChIKeyMVYYEYGSYKZBGL-UHFFFAOYSA-N
XLogP2.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-3-[(3-bromophenyl)methylamino]-N-methylbenzamide
CID 63357345
2-[(3-bromophenyl)methoxy]-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 43000565
4-amino-3-ethoxy-N-methylbenzamide
CID 63357452
4-amino-3-phenylmethoxy-N-propan-2-ylbenzamide
CID 82069733
methyl 4-amino-3-[(3-methylphenyl)methoxy]benzoate
CID 43380191
4-amino-3-butoxy-N-methylbenzamide
CID 63357456
3-[(3-bromophenyl)methoxy]-4-methylbenzoic acid
CID 63464346
4-amino-3-[(3-methylphenyl)methoxy]benzoic acid
CID 43379889
2-[(3-bromophenyl)methoxy]-N-methoxybenzamide
CID 33104537
methyl 5-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 82831709
3-amino-4-[(2-bromophenyl)methoxy]-N-methylbenzamide
CID 82999807
3-[(3-bromophenyl)methoxy]-2-methylaniline
CID 43437900

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide?
The IUPAC name of 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide (CID 82828617) is 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide.
What is the SMILES notation for 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide?
The canonical SMILES for 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide is CNC(=O)c1ccc(N)c(OCc2cccc(Br)c2)c1.
What is the InChIKey of 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide?
The InChIKey is MVYYEYGSYKZBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-18-15(19)11-5-6-13(17)14(8-11)20-9-10-3-2-4-12(16)7-10/h2-8H,9,17H2,1H3,(H,18,19).
What are the key properties of 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide?
4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide has a molecular weight of 335.20 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-[(3-bromophenyl)methoxy]-N-methylbenzamide is sourced from PubChem (CID 82828617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).