N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide

C15H15BrN2O2 — CID 104850542

IUPACN-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide
SMILESCOc1cc(N)ccc1NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-9-5-10(7-11(16)6-9)15(19)18-13-4-3-12(17)8-14(13)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyPMIHSJVPKMRADS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.60
Rot. Bonds3

About N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide

N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide (PubChem CID 104850542) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide
PubChem CID104850542
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide
SMILESCOc1cc(N)ccc1NC(=O)c1cc(C)cc(Br)c1
InChIInChI=1S/C15H15BrN2O2/c1-9-5-10(7-11(16)6-9)15(19)18-13-4-3-12(17)8-14(13)20-2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyPMIHSJVPKMRADS-UHFFFAOYSA-N
XLogP3.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 53.60
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

N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875
N-[4-[4-[(3,5-dimethylbenzoyl)amino]-3-methoxyphenyl]-2-methoxyphenyl]-3,5-dimethylbenzamide
CID 4537878
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059
N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 63085782
3-bromo-N-(4-bromo-2-methylphenyl)-5-methylbenzamide
CID 104851628
N-(5-amino-2-methoxyphenyl)-3-bromobenzamide
CID 24699431
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(4-amino-2-bromophenyl)-3,4-dimethoxybenzamide
CID 43549544

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide (CID 104850542) is N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide is COc1cc(N)ccc1NC(=O)c1cc(C)cc(Br)c1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide?
The InChIKey is PMIHSJVPKMRADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-9-5-10(7-11(16)6-9)15(19)18-13-4-3-12(17)8-14(13)20-2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide?
N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide has a molecular weight of 335.20 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide is sourced from PubChem (CID 104850542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).