2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide

C16H16F2N2O — CID 114871265

IUPAC2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
SMILESCCC(Nc1ccc(F)c(C(N)=O)c1)c1cccc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-2-15(10-4-3-5-11(17)8-10)20-12-6-7-14(18)13(9-12)16(19)21/h3-9,15,20H,2H2,1H3,(H2,19,21)
InChIKeyTVRZDHOHWXDWLO-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.63
Rot. Bonds5

About 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide

2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide (PubChem CID 114871265) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
PubChem CID114871265
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide
SMILESCCC(Nc1ccc(F)c(C(N)=O)c1)c1cccc(F)c1
InChIInChI=1S/C16H16F2N2O/c1-2-15(10-4-3-5-11(17)8-10)20-12-6-7-14(18)13(9-12)16(19)21/h3-9,15,20H,2H2,1H3,(H2,19,21)
InChIKeyTVRZDHOHWXDWLO-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[1-(4-bromophenyl)propylamino]-2-fluorobenzamide
CID 43705157
4-fluoro-N-[1-(3-fluorophenyl)propyl]-3-methoxyaniline
CID 114871894
2-chloro-4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43736518
2-(3-carbamoyl-4-fluoroanilino)butanoic acid
CID 115352673
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
4-bromo-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871024
4-ethoxy-3-fluoro-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871801
4-butan-2-yl-N-[1-(3-fluorophenyl)propyl]aniline
CID 114871220
4-[1-(3-chlorophenyl)propylamino]benzamide
CID 43192997
5-(1-cyclopropylpropylamino)-2-fluorobenzamide
CID 64917346
2-fluoro-4-(1-phenylpropylamino)benzenecarbothioamide
CID 115368247
4-ethoxy-N-[1-(3-fluorophenyl)propyl]aniline
CID 114870959

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide?
The IUPAC name of 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide (CID 114871265) is 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide.
What is the SMILES notation for 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide?
The canonical SMILES for 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide is CCC(Nc1ccc(F)c(C(N)=O)c1)c1cccc(F)c1.
What is the InChIKey of 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide?
The InChIKey is TVRZDHOHWXDWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-15(10-4-3-5-11(17)8-10)20-12-6-7-14(18)13(9-12)16(19)21/h3-9,15,20H,2H2,1H3,(H2,19,21).
What are the key properties of 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide?
2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide has a molecular weight of 290.31 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-(3-fluorophenyl)propylamino]benzamide is sourced from PubChem (CID 114871265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).