N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide

C17H16BrFN2O2 — CID 1214398

IUPACN-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H16BrFN2O2/c1-2-3-16(22)20-13-7-4-11(5-8-13)17(23)21-15-9-6-12(18)10-14(15)19/h4-10H,2-3H2,1H3,(H,20,22)(H,21,23)
InChIKeyQDZYLDMYPSXBPD-UHFFFAOYSA-N
MW379.23 g/mol
LogP4.58
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide

N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide (PubChem CID 1214398) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide
PubChem CID1214398
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C17H16BrFN2O2/c1-2-3-16(22)20-13-7-4-11(5-8-13)17(23)21-15-9-6-12(18)10-14(15)19/h4-10H,2-3H2,1H3,(H,20,22)(H,21,23)
InChIKeyQDZYLDMYPSXBPD-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

N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
CID 2991219
N-[4-[1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide
CID 22781041
4-(butanoylamino)-N-(3,5-difluorophenyl)benzamide
CID 17271977
N-(5-bromo-2-fluorophenyl)butanamide
CID 63938679
N-(4-bromo-2-fluorophenyl)-3-(ethylamino)propanamide
CID 62832838
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64787655
methyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 108808770
ethyl 4-(4-bromo-2-fluoroanilino)-4-oxobutanoate
CID 33142715
4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide
CID 78820007
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
CID 61090839
N-(4-bromo-2-fluorophenyl)-4-(2-ethyl-1,3-thiazol-4-yl)benzamide
CID 53037661
N-(2,4-dibromophenyl)-4-(ethylamino)benzamide
CID 62177629

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide (CID 1214398) is N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide is CCCC(=O)Nc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide?
The InChIKey is QDZYLDMYPSXBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-2-3-16(22)20-13-7-4-11(5-8-13)17(23)21-15-9-6-12(18)10-14(15)19/h4-10H,2-3H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide?
N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide 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 N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide is sourced from PubChem (CID 1214398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).