3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide

C14H13BrFN3O — CID 107634382

IUPAC3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2cc(F)ccc2Br)c(N)c1
InChIInChI=1S/C14H13BrFN3O/c1-18-14(20)8-2-5-12(11(17)6-8)19-13-7-9(16)3-4-10(13)15/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyZLDBOVKGQFIHNF-UHFFFAOYSA-N
MW338.18 g/mol
LogP3.27
Rot. Bonds3

About 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide

3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide (PubChem CID 107634382) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
PubChem CID107634382
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Nc2cc(F)ccc2Br)c(N)c1
InChIInChI=1S/C14H13BrFN3O/c1-18-14(20)8-2-5-12(11(17)6-8)19-13-7-9(16)3-4-10(13)15/h2-7,19H,17H2,1H3,(H,18,20)
InChIKeyZLDBOVKGQFIHNF-UHFFFAOYSA-N
XLogP3.27
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide
CID 107634456
3-amino-4-(2,3-difluoroanilino)-N-methylbenzamide
CID 82988443
3-amino-4-(3-chloro-2-fluoroanilino)-N-methylbenzamide
CID 82988504
3-amino-4-[(4-fluorophenyl)methylamino]-N-methylbenzamide
CID 82988834
3-amino-4-(2,4-dichloroanilino)-N-methylbenzamide
CID 82988433
4-amino-3-(4-bromo-3-fluoroanilino)-N-methylbenzamide
CID 65436066
3-amino-4-(2,5-dichloroanilino)-N-methylbenzamide
CID 82989111
3-amino-4-bromo-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768442
3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
CID 82993340
3-amino-4-(4-fluoro-2-methylanilino)benzoic acid
CID 54888083
3-amino-4-(3,4-dimethylanilino)-N-methylbenzamide
CID 82988904
4-amino-N-(2-bromo-4-fluorophenyl)-3-methylbenzamide
CID 28938520

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide?
The IUPAC name of 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide (CID 107634382) is 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide.
What is the SMILES notation for 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide?
The canonical SMILES for 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide is CNC(=O)c1ccc(Nc2cc(F)ccc2Br)c(N)c1.
What is the InChIKey of 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide?
The InChIKey is ZLDBOVKGQFIHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-18-14(20)8-2-5-12(11(17)6-8)19-13-7-9(16)3-4-10(13)15/h2-7,19H,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide?
3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide has a molecular weight of 338.18 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide is sourced from PubChem (CID 107634382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).