N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide

C14H12BrClN2O2 — CID 100828551

IUPACN-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
SMILESCOc1cc(N)cc(Br)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H12BrClN2O2/c1-20-12-7-10(17)6-11(15)13(12)18-14(19)8-3-2-4-9(16)5-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyILYAQVKOAGAAKJ-UHFFFAOYSA-N
MW355.62 g/mol
LogP3.95
Rot. Bonds3

About N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide

N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide (PubChem CID 100828551) has the molecular formula C14H12BrClN2O2 and a molecular weight of 355.62 g/mol. Its IUPAC name is N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
PubChem CID100828551
Molecular FormulaC14H12BrClN2O2
Molecular Weight355.62 g/mol
Exact Mass353.98
IUPAC NameN-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide
SMILESCOc1cc(N)cc(Br)c1NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C14H12BrClN2O2/c1-20-12-7-10(17)6-11(15)13(12)18-14(19)8-3-2-4-9(16)5-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyILYAQVKOAGAAKJ-UHFFFAOYSA-N
XLogP3.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.62
LogP ≤ 53.95
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-methoxybenzamide
CID 100828622
N-(4-amino-2,6-dibromophenyl)-3-methoxybenzamide
CID 43549420
N-(4-amino-2-bromo-6-methoxyphenyl)-4-ethylbenzamide
CID 100828508
N-(4-amino-2-bromo-6-methoxyphenyl)-2-chloro-5-iodobenzamide
CID 100828589
3-chloro-N-(2-cyano-6-methoxyphenyl)benzamide
CID 107468118
N-(4-amino-2-bromo-6-methoxyphenyl)-5-bromo-2-methoxybenzamide
CID 100828602
N-(4-amino-2-chloro-6-methoxyphenyl)-2-bromobenzamide
CID 100828548
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,6-dimethoxybenzamide
CID 22775702
N-(2-amino-6-methylphenyl)-3-chlorobenzamide
CID 43152332
N-(4-amino-2-bromo-6-methoxyphenyl)-2-phenylacetamide
CID 100828478
N-(4-amino-2,6-dibromophenyl)-3-chloro-4-fluorobenzamide
CID 82874501
2-[(3-chlorobenzoyl)amino]-4,5-dimethoxybenzoic acid
CID 16777026

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide?
The IUPAC name of N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide (CID 100828551) is N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide.
What is the SMILES notation for N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide?
The canonical SMILES for N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide is COc1cc(N)cc(Br)c1NC(=O)c1cccc(Cl)c1.
What is the InChIKey of N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide?
The InChIKey is ILYAQVKOAGAAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O2/c1-20-12-7-10(17)6-11(15)13(12)18-14(19)8-3-2-4-9(16)5-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide?
N-(4-amino-2-bromo-6-methoxyphenyl)-3-chlorobenzamide has a molecular weight of 355.62 g/mol, XLogP of 3.95, 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-bromo-6-methoxyphenyl)-3-chlorobenzamide is sourced from PubChem (CID 100828551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).