N-(4-amino-3-methoxyphenyl)-2-bromobenzamide

C14H13BrN2O2 — CID 61240435

IUPACN-(4-amino-3-methoxyphenyl)-2-bromobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2Br)ccc1N
InChIInChI=1S/C14H13BrN2O2/c1-19-13-8-9(6-7-12(13)16)17-14(18)10-4-2-3-5-11(10)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyRRQMLFSWYLKTMA-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.29
Rot. Bonds3

About N-(4-amino-3-methoxyphenyl)-2-bromobenzamide

N-(4-amino-3-methoxyphenyl)-2-bromobenzamide (PubChem CID 61240435) has the molecular formula C14H13BrN2O2 and a molecular weight of 321.17 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-2-bromobenzamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-2-bromobenzamide
PubChem CID61240435
Molecular FormulaC14H13BrN2O2
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC NameN-(4-amino-3-methoxyphenyl)-2-bromobenzamide
SMILESCOc1cc(NC(=O)c2ccccc2Br)ccc1N
InChIInChI=1S/C14H13BrN2O2/c1-19-13-8-9(6-7-12(13)16)17-14(18)10-4-2-3-5-11(10)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyRRQMLFSWYLKTMA-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.29
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-3-methoxyphenyl)-2-ethoxybenzamide
CID 61239481
N-(4-amino-3-methoxyphenyl)-2,5-dibromothiophene-3-carboxamide
CID 103805348
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]thiophene-2-carboxamide
CID 1258183
N-[4-[(2-bromobenzoyl)amino]-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1016170
N-(4-amino-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001
N-(3-amino-4-methoxyphenyl)-2-chlorobenzamide
CID 23464385
N-(4-amino-3-methoxyphenyl)-2,6-difluorobenzamide
CID 61240247
2-bromo-N-(4-bromo-3-methylphenyl)benzamide
CID 2505928
2-bromo-N-(2-methoxyphenyl)benzamide
CID 676344
3-bromo-2-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 106544979
N-(4-amino-3-bromophenyl)-3-methoxypyridine-4-carboxamide
CID 105063037
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-2-bromobenzamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-2-bromobenzamide (CID 61240435) is N-(4-amino-3-methoxyphenyl)-2-bromobenzamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-2-bromobenzamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-2-bromobenzamide is COc1cc(NC(=O)c2ccccc2Br)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-2-bromobenzamide?
The InChIKey is RRQMLFSWYLKTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2/c1-19-13-8-9(6-7-12(13)16)17-14(18)10-4-2-3-5-11(10)15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(4-amino-3-methoxyphenyl)-2-bromobenzamide?
N-(4-amino-3-methoxyphenyl)-2-bromobenzamide has a molecular weight of 321.17 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-methoxyphenyl)-2-bromobenzamide is sourced from PubChem (CID 61240435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).