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

C15H15BrFN3O — CID 107634456

IUPAC4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C15H15BrFN3O/c1-2-19-15(21)9-3-6-12(18)14(7-9)20-13-8-10(17)4-5-11(13)16/h3-8,20H,2,18H2,1H3,(H,19,21)
InChIKeyCNLOJQJWUJNTDH-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.66
Rot. Bonds4

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

4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide (PubChem CID 107634456) has the molecular formula C15H15BrFN3O and a molecular weight of 352.21 g/mol. Its IUPAC name is 4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide.

Molecular Properties

Compound Name4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide
PubChem CID107634456
Molecular FormulaC15H15BrFN3O
Molecular Weight352.21 g/mol
Exact Mass351.04
IUPAC Name4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(N)c(Nc2cc(F)ccc2Br)c1
InChIInChI=1S/C15H15BrFN3O/c1-2-19-15(21)9-3-6-12(18)14(7-9)20-13-8-10(17)4-5-11(13)16/h3-8,20H,2,18H2,1H3,(H,19,21)
InChIKeyCNLOJQJWUJNTDH-UHFFFAOYSA-N
XLogP3.66
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.66
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-chloro-5-fluoroanilino)-N-ethylbenzamide
CID 107526839
4-amino-3-(5-bromo-2-fluoroanilino)-N-ethylbenzamide
CID 63360656
4-amino-3-(3,5-difluoroanilino)-N-ethylbenzamide
CID 63361087
4-amino-3-anilino-N-ethylbenzamide
CID 55188757
3-amino-4-(2-bromo-5-fluoroanilino)-N-methylbenzamide
CID 107634382
3-amino-N-ethyl-4-(4-fluoro-2-methylanilino)benzamide
CID 82993340
4-amino-N-ethyl-3-(2-methylsulfanylanilino)benzamide
CID 107643460
3-amino-4-(2-bromo-5-fluorophenoxy)-N-ethylbenzamide
CID 82990981
2-N-(2,5-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 55067874
4-amino-3-(3-chloro-2-methylanilino)-N-ethylbenzamide
CID 63360778
ethyl 4-amino-3-(2,5-difluoroanilino)benzoate
CID 82776005
4-amino-N-ethyl-3-(3-methylsulfanylanilino)benzamide
CID 63360686

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide?
The IUPAC name of 4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide (CID 107634456) is 4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide.
What is the SMILES notation for 4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide?
The canonical SMILES for 4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide is CCNC(=O)c1ccc(N)c(Nc2cc(F)ccc2Br)c1.
What is the InChIKey of 4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide?
The InChIKey is CNLOJQJWUJNTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O/c1-2-19-15(21)9-3-6-12(18)14(7-9)20-13-8-10(17)4-5-11(13)16/h3-8,20H,2,18H2,1H3,(H,19,21).
What are the key properties of 4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide?
4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide has a molecular weight of 352.21 g/mol, XLogP of 3.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2-bromo-5-fluoroanilino)-N-ethylbenzamide is sourced from PubChem (CID 107634456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).