4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide

C10H12BrFN2O — CID 178170984

IUPAC4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C10H12BrFN2O/c1-5(2)14-8-4-6(11)3-7(12)9(8)10(13)15/h3-5,14H,1-2H3,(H2,13,15)
InChIKeyFZMRSSPNULBZPC-UHFFFAOYSA-N
MW275.12 g/mol
LogP2.51
Rot. Bonds3

About 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide

4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide (PubChem CID 178170984) has the molecular formula C10H12BrFN2O and a molecular weight of 275.12 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide
PubChem CID178170984
Molecular FormulaC10H12BrFN2O
Molecular Weight275.12 g/mol
Exact Mass274.01
IUPAC Name4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide
SMILESCC(C)Nc1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C10H12BrFN2O/c1-5(2)14-8-4-6(11)3-7(12)9(8)10(13)15/h3-5,14H,1-2H3,(H2,13,15)
InChIKeyFZMRSSPNULBZPC-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.12
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide
CID 133423424
4-bromo-2-fluoro-6-(methylamino)benzoic acid
CID 90040369
4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide
CID 133422147
2-[2-(azepan-1-yl)ethylamino]-4-bromo-6-fluorobenzamide
CID 133440943
4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide
CID 133440884
[1-[4-bromo-2-fluoro-6-(propan-2-ylamino)anilino]-1-oxopropan-2-yl]carbamic acid
CID 146219929
methyl 2-(4-bromo-2,6-difluoroanilino)propanoate
CID 65469192
[4-bromo-2-fluoro-6-(propan-2-ylamino)phenyl]-methoxyazanium
CID 170970888
4-bromo-2-[2-(cyclopropanecarbonylamino)ethylamino]-6-fluorobenzamide
CID 133441266
4-bromo-2-fluoro-6-[3-hydroxybutyl(methyl)amino]benzamide
CID 133441604
5-bromo-1-N-(1,1-difluoropropan-2-yl)-3-fluorobenzene-1,2-diamine
CID 146219796

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide (CID 178170984) is 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide is CC(C)Nc1cc(Br)cc(F)c1C(N)=O.
What is the InChIKey of 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide?
The InChIKey is FZMRSSPNULBZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN2O/c1-5(2)14-8-4-6(11)3-7(12)9(8)10(13)15/h3-5,14H,1-2H3,(H2,13,15).
What are the key properties of 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide?
4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide has a molecular weight of 275.12 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide is sourced from PubChem (CID 178170984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).