5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide

C16H16BrFN2O — CID 43705157

IUPAC5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide
SMILESCCC(Nc1ccc(F)c(C(N)=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-15(10-3-5-11(17)6-4-10)20-12-7-8-14(18)13(9-12)16(19)21/h3-9,15,20H,2H2,1H3,(H2,19,21)
InChIKeyJACTVHBYJGENQA-UHFFFAOYSA-N
MW351.22 g/mol
LogP4.25
Rot. Bonds5

About 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide

5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide (PubChem CID 43705157) has the molecular formula C16H16BrFN2O and a molecular weight of 351.22 g/mol. Its IUPAC name is 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide
PubChem CID43705157
Molecular FormulaC16H16BrFN2O
Molecular Weight351.22 g/mol
Exact Mass350.04
IUPAC Name5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide
SMILESCCC(Nc1ccc(F)c(C(N)=O)c1)c1ccc(Br)cc1
InChIInChI=1S/C16H16BrFN2O/c1-2-15(10-3-5-11(17)6-4-10)20-12-7-8-14(18)13(9-12)16(19)21/h3-9,15,20H,2H2,1H3,(H2,19,21)
InChIKeyJACTVHBYJGENQA-UHFFFAOYSA-N
XLogP4.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
CID 114871265
2-(3-carbamoyl-4-fluoroanilino)butanoic acid
CID 115352673
N-[1-(4-bromophenyl)propyl]-4-fluoroaniline
CID 43097882
N-[1-(4-bromophenyl)propyl]-5-chloro-2-fluorobenzamide
CID 60674486
5-(1-cyclopropylpropylamino)-2-fluorobenzamide
CID 64917346
4-[1-(4-bromophenyl)propylamino]benzoic acid
CID 43321634
2-chloro-4-[1-(4-methylphenyl)propylamino]benzamide
CID 43736529
2-fluoro-5-(2,3,3-trimethylbutylamino)benzamide
CID 114270471
2-fluoro-4-(1-phenylpropylamino)benzenecarbothioamide
CID 115368247
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213
[4-[1-(4-chlorophenyl)propylamino]phenyl]urea
CID 43745000
N-[1-(4-bromophenyl)propyl]-3-chloro-4-methylaniline
CID 43111547

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide?
The IUPAC name of 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide (CID 43705157) is 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide.
What is the SMILES notation for 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide?
The canonical SMILES for 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide is CCC(Nc1ccc(F)c(C(N)=O)c1)c1ccc(Br)cc1.
What is the InChIKey of 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide?
The InChIKey is JACTVHBYJGENQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O/c1-2-15(10-3-5-11(17)6-4-10)20-12-7-8-14(18)13(9-12)16(19)21/h3-9,15,20H,2H2,1H3,(H2,19,21).
What are the key properties of 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide?
5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide has a molecular weight of 351.22 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide is sourced from PubChem (CID 43705157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).