4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide

C11H14BrFN2O2 — CID 133423424

IUPAC4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide
SMILESCOCCCNc1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C11H14BrFN2O2/c1-17-4-2-3-15-9-6-7(12)5-8(13)10(9)11(14)16/h5-6,15H,2-4H2,1H3,(H2,14,16)
InChIKeyBNRWKDNJRZBCEV-UHFFFAOYSA-N
MW305.15 g/mol
LogP2.14
Rot. Bonds6

About 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide

4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide (PubChem CID 133423424) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide
PubChem CID133423424
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC Name4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide
SMILESCOCCCNc1cc(Br)cc(F)c1C(N)=O
InChIInChI=1S/C11H14BrFN2O2/c1-17-4-2-3-15-9-6-7(12)5-8(13)10(9)11(14)16/h5-6,15H,2-4H2,1H3,(H2,14,16)
InChIKeyBNRWKDNJRZBCEV-UHFFFAOYSA-N
XLogP2.14
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-fluoro-6-[3-(methanesulfonamido)propylamino]benzamide
CID 133440884
4-bromo-2-[2-(cyclopropanecarbonylamino)ethylamino]-6-fluorobenzamide
CID 133441266
2-[2-(azepan-1-yl)ethylamino]-4-bromo-6-fluorobenzamide
CID 133440943
4-bromo-2-fluoro-6-(propan-2-ylamino)benzamide
CID 178170984
4-bromo-2-fluoro-6-[(4-fluoro-3-methylphenyl)methylamino]benzamide
CID 133422147
4-bromo-2-N-(3-methoxypropyl)benzene-1,2-diamine
CID 65343412
4-bromo-2-fluoro-N-(3-methoxypropyl)benzamide
CID 43090254
4-bromo-2-fluoro-6-methylbenzamide
CID 59473773
4-bromo-N-(3-bromo-4-methoxybutyl)-2,6-difluorobenzamide
CID 106244885
4-bromo-2-N-(4-methoxybutyl)benzene-1,2-diamine
CID 65342774
3-fluoro-4-(4-methoxybutylamino)benzoic acid
CID 62710161
5-bromo-2-fluoro-N-[2-(3-methoxypropoxy)ethyl]aniline
CID 103178584

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide?
The IUPAC name of 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide (CID 133423424) is 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide.
What is the SMILES notation for 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide?
The canonical SMILES for 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide is COCCCNc1cc(Br)cc(F)c1C(N)=O.
What is the InChIKey of 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide?
The InChIKey is BNRWKDNJRZBCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-17-4-2-3-15-9-6-7(12)5-8(13)10(9)11(14)16/h5-6,15H,2-4H2,1H3,(H2,14,16).
What are the key properties of 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide?
4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide has a molecular weight of 305.15 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-6-(3-methoxypropylamino)benzamide is sourced from PubChem (CID 133423424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).