2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide

C17H16BrFN2O2 — CID 53245435

IUPAC2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C17H16BrFN2O2/c1-2-4-16(22)20-12-5-3-6-13(10-12)21-17(23)14-8-7-11(19)9-15(14)18/h3,5-10H,2,4H2,1H3,(H,20,22)(H,21,23)
InChIKeyFALHMESLGKCEMH-UHFFFAOYSA-N
MW379.23 g/mol
LogP4.58
Rot. Bonds5

About 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide

2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide (PubChem CID 53245435) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide
PubChem CID53245435
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC Name2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide
SMILESCCCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2Br)c1
InChIInChI=1S/C17H16BrFN2O2/c1-2-4-16(22)20-12-5-3-6-13(10-12)21-17(23)14-8-7-11(19)9-15(14)18/h3,5-10H,2,4H2,1H3,(H,20,22)(H,21,23)
InChIKeyFALHMESLGKCEMH-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.23
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-(3-hydroxyphenyl)benzamide
CID 28739689
2-bromo-4-fluoro-N-phenylbenzamide
CID 17461201
2-bromo-N-[3-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 26313397
N-[3-(butanoylamino)phenyl]-2-chlorobenzamide
CID 17187534
2-bromo-N-[3-(butanoylamino)phenyl]-6-chlorobenzamide
CID 53245483
2-bromo-N-[3-(cyanomethoxy)phenyl]-4-fluorobenzamide
CID 43175442
2-bromo-N-[3-(butanoylamino)phenyl]-5-(1,2,4-triazol-4-yl)benzamide
CID 51701489
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
2-bromo-N-[4-(diethylcarbamoyl)phenyl]-4-fluorobenzamide
CID 9193061
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
2-bromo-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 9191814
N-[3-(butanoylamino)phenyl]-4-tert-butylbenzamide
CID 4003152

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide (CID 53245435) is 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide is CCCC(=O)Nc1cccc(NC(=O)c2ccc(F)cc2Br)c1.
What is the InChIKey of 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide?
The InChIKey is FALHMESLGKCEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-2-4-16(22)20-12-5-3-6-13(10-12)21-17(23)14-8-7-11(19)9-15(14)18/h3,5-10H,2,4H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide?
2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide has a molecular weight of 379.23 g/mol, XLogP of 4.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(butanoylamino)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 53245435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).