4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide

C14H11BrF2N2O2 — CID 82859976

IUPAC4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
SMILESCOc1cc(NC(=O)c2cc(F)c(N)c(F)c2)ccc1Br
InChIInChI=1S/C14H11BrF2N2O2/c1-21-12-6-8(2-3-9(12)15)19-14(20)7-4-10(16)13(18)11(17)5-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyQSZWRANOBKKHQB-UHFFFAOYSA-N
MW357.15 g/mol
LogP3.57
Rot. Bonds3

About 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide

4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide (PubChem CID 82859976) has the molecular formula C14H11BrF2N2O2 and a molecular weight of 357.15 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
PubChem CID82859976
Molecular FormulaC14H11BrF2N2O2
Molecular Weight357.15 g/mol
Exact Mass356.00
IUPAC Name4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide
SMILESCOc1cc(NC(=O)c2cc(F)c(N)c(F)c2)ccc1Br
InChIInChI=1S/C14H11BrF2N2O2/c1-21-12-6-8(2-3-9(12)15)19-14(20)7-4-10(16)13(18)11(17)5-7/h2-6H,18H2,1H3,(H,19,20)
InChIKeyQSZWRANOBKKHQB-UHFFFAOYSA-N
XLogP3.57
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.15
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-(4-bromo-3-methoxyphenyl)-3-fluorobenzamide
CID 82867341
3,5-dibromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 107980534
3-amino-N-(4-bromo-3-methoxyphenyl)-5-methoxybenzamide
CID 82858988
4-bromo-N-(3-bromo-4-methoxyphenyl)-3-fluorobenzamide
CID 63997805
4-amino-N-(5-bromo-2-methoxyphenyl)-3,5-difluorobenzamide
CID 63185721
4-(aminomethyl)-N-(4-bromo-3-methoxyphenyl)benzamide
CID 81424344
3-bromo-N-(4-bromo-3-methoxyphenyl)benzamide
CID 79421204
N-(3-amino-4-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63186712
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836836
4-amino-3,5-difluoro-N-(4-fluoro-2-methoxyphenyl)benzamide
CID 63185657
3-bromo-N-(3-bromo-4-fluorophenyl)-4-methoxybenzamide
CID 115661540
N-(4-bromo-3-methoxyphenyl)-4-fluoro-2-hydroxybenzamide
CID 103830086

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide?
The IUPAC name of 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide (CID 82859976) is 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide.
What is the SMILES notation for 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide?
The canonical SMILES for 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide is COc1cc(NC(=O)c2cc(F)c(N)c(F)c2)ccc1Br.
What is the InChIKey of 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide?
The InChIKey is QSZWRANOBKKHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2N2O2/c1-21-12-6-8(2-3-9(12)15)19-14(20)7-4-10(16)13(18)11(17)5-7/h2-6H,18H2,1H3,(H,19,20).
What are the key properties of 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide?
4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide has a molecular weight of 357.15 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-bromo-3-methoxyphenyl)-3,5-difluorobenzamide is sourced from PubChem (CID 82859976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).