N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide

C17H16BrFN2O2 — CID 55829981

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCc2cc(Br)ccc2F)c1
InChIInChI=1S/C17H16BrFN2O2/c1-2-16(22)21-14-5-3-4-11(9-14)17(23)20-10-12-8-13(18)6-7-15(12)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyYPJAZEAIYYMBIU-UHFFFAOYSA-N
MW379.23 g/mol
LogP3.87
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide

N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide (PubChem CID 55829981) has the molecular formula C17H16BrFN2O2 and a molecular weight of 379.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide
PubChem CID55829981
Molecular FormulaC17H16BrFN2O2
Molecular Weight379.23 g/mol
Exact Mass378.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide
SMILESCCC(=O)Nc1cccc(C(=O)NCc2cc(Br)ccc2F)c1
InChIInChI=1S/C17H16BrFN2O2/c1-2-16(22)21-14-5-3-4-11(9-14)17(23)20-10-12-8-13(18)6-7-15(12)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22)
InChIKeyYPJAZEAIYYMBIU-UHFFFAOYSA-N
XLogP3.87
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 ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
2-[(5-bromo-2-fluorophenyl)methylamino]-N-(3-bromophenyl)acetamide
CID 61300625
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
N-[(5-bromo-2-fluorophenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787157
3-[(4-bromo-2-fluorophenyl)methylamino]-N-ethylbenzamide
CID 43231490
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-fluorobenzamide
CID 107987901
N-[1-(4-bromophenyl)ethyl]-3-(propanoylamino)benzamide
CID 55833406
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
N-(2-acetamidoethyl)-3-(propanoylamino)benzamide
CID 47265307

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide (CID 55829981) is N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide is CCC(=O)Nc1cccc(C(=O)NCc2cc(Br)ccc2F)c1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide?
The InChIKey is YPJAZEAIYYMBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O2/c1-2-16(22)21-14-5-3-4-11(9-14)17(23)20-10-12-8-13(18)6-7-15(12)19/h3-9H,2,10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide?
N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide has a molecular weight of 379.23 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-3-(propanoylamino)benzamide is sourced from PubChem (CID 55829981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).