N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide

C15H15BrN2O2 — CID 100828478

IUPACN-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cc(N)cc(Br)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-20-13-9-11(17)8-12(16)15(13)18-14(19)7-10-5-3-2-4-6-10/h2-6,8-9H,7,17H2,1H3,(H,18,19)
InChIKeyWMQSQDMWLZQECS-UHFFFAOYSA-N
MW335.20 g/mol
LogP3.22
Rot. Bonds4

About N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide

N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide (PubChem CID 100828478) has the molecular formula C15H15BrN2O2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
PubChem CID100828478
Molecular FormulaC15H15BrN2O2
Molecular Weight335.20 g/mol
Exact Mass334.03
IUPAC NameN-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
SMILESCOc1cc(N)cc(Br)c1NC(=O)Cc1ccccc1
InChIInChI=1S/C15H15BrN2O2/c1-20-13-9-11(17)8-12(16)15(13)18-14(19)7-10-5-3-2-4-6-10/h2-6,8-9H,7,17H2,1H3,(H,18,19)
InChIKeyWMQSQDMWLZQECS-UHFFFAOYSA-N
XLogP3.22
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 ≤ 53.22
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-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
CID 100828508
2-(3-aminophenyl)-N-(4-bromo-3-methoxyphenyl)acetamide
CID 82862923
N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
CID 100828551
3-bromo-4-methoxy-N-[4-[(2-phenylacetyl)amino]phenyl]benzamide
CID 2236980
methyl 4-bromo-3-[(2-phenylacetyl)amino]thiophene-2-carboxylate
CID 176893694
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
N-(4-amino-2,6-dimethylphenyl)-2-(4-methoxyphenyl)acetamide
CID 79993432
N-(4-amino-2,6-dibromophenyl)-3-(2-methylphenyl)propanamide
CID 62366372
N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
CID 100828548
N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
CID 100828589
1-(3-bromo-4-methoxyphenyl)-2-phenylethanone
CID 43339868
2,5-dimethoxy-4-[(2-phenylacetyl)amino]benzenediazonium chloride
CID 163846426

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide?
The IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide (CID 100828478) is N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide is COc1cc(N)cc(Br)c1NC(=O)Cc1ccccc1.
What is the InChIKey of N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide?
The InChIKey is WMQSQDMWLZQECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O2/c1-20-13-9-11(17)8-12(16)15(13)18-14(19)7-10-5-3-2-4-6-10/h2-6,8-9H,7,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide?
N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide has a molecular weight of 335.20 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide is sourced from PubChem (CID 100828478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).