N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide

C14H12Br2N2O2 — CID 107971090

IUPACN-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1N
InChIInChI=1S/C14H12Br2N2O2/c1-20-13-3-2-11(7-12(13)17)18-14(19)8-4-9(15)6-10(16)5-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMURMATGVUVTEGQ-UHFFFAOYSA-N
MW400.07 g/mol
LogP4.05
Rot. Bonds3

About N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide

N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide (PubChem CID 107971090) has the molecular formula C14H12Br2N2O2 and a molecular weight of 400.07 g/mol. Its IUPAC name is N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
PubChem CID107971090
Molecular FormulaC14H12Br2N2O2
Molecular Weight400.07 g/mol
Exact Mass397.93
IUPAC NameN-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide
SMILESCOc1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1N
InChIInChI=1S/C14H12Br2N2O2/c1-20-13-3-2-11(7-12(13)17)18-14(19)8-4-9(15)6-10(16)5-8/h2-7H,17H2,1H3,(H,18,19)
InChIKeyMURMATGVUVTEGQ-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.07
LogP ≤ 54.05
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

3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
N-(3-amino-4-methoxyphenyl)-4-hydroxybenzamide
CID 43599919
N-(3-amino-4-methoxyphenyl)-4-ethylbenzamide
CID 43599944
N-(4-amino-3-methylphenyl)-3,5-dibromobenzamide
CID 107971017
N-(3-amino-4-methoxyphenyl)-3-bromo-4-chlorobenzamide
CID 107990051
N-(3-amino-4-methoxyphenyl)-4-tert-butylbenzamide
CID 18524942
N-(3-amino-4-methoxyphenyl)benzamide;molecular nitrogen
CID 174994775
3-amino-N-(4-bromo-3-chlorophenyl)-4-methoxybenzamide
CID 107618351
N-(3-amino-4-methoxyphenyl)-3,4-dipropoxybenzamide
CID 119420223
3,5-dibromo-N-(4-methoxyphenyl)benzamide
CID 114023535
N-(5-amino-2-methoxyphenyl)-3,5-dibromobenzamide
CID 107970875

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide?
The IUPAC name of N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide (CID 107971090) is N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide.
What is the SMILES notation for N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide?
The canonical SMILES for N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide is COc1ccc(NC(=O)c2cc(Br)cc(Br)c2)cc1N.
What is the InChIKey of N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide?
The InChIKey is MURMATGVUVTEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Br2N2O2/c1-20-13-3-2-11(7-12(13)17)18-14(19)8-4-9(15)6-10(16)5-8/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide?
N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide has a molecular weight of 400.07 g/mol, XLogP of 4.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methoxyphenyl)-3,5-dibromobenzamide is sourced from PubChem (CID 107971090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).