N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide

C17H16FN3O — CID 133279513

IUPACN-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
SMILESN#Cc1c(F)cccc1NCCC(=O)NCc1ccccc1
InChIInChI=1S/C17H16FN3O/c18-15-7-4-8-16(14(15)11-19)20-10-9-17(22)21-12-13-5-2-1-3-6-13/h1-8,20H,9-10,12H2,(H,21,22)
InChIKeyVNQJDGNUGPDSEY-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.82
Rot. Bonds6

About N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide

N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide (PubChem CID 133279513) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide.

Molecular Properties

Compound NameN-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
PubChem CID133279513
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-benzyl-3-(2-cyano-3-fluoroanilino)propanamide
SMILESN#Cc1c(F)cccc1NCCC(=O)NCc1ccccc1
InChIInChI=1S/C17H16FN3O/c18-15-7-4-8-16(14(15)11-19)20-10-9-17(22)21-12-13-5-2-1-3-6-13/h1-8,20H,9-10,12H2,(H,21,22)
InChIKeyVNQJDGNUGPDSEY-UHFFFAOYSA-N
XLogP2.82
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chlorophenyl)methyl]-3-(2-fluoroanilino)propanamide
CID 109021705
N-benzyl-3-(2-ethylanilino)propanamide
CID 109018815
3-(2-fluoroanilino)-N-(pyridin-3-ylmethyl)propanamide
CID 109023536
3-(2-bromophenyl)sulfanyl-N-[2-(2-cyano-3-fluoroanilino)ethyl]propanamide
CID 55972616
3-(benzylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 17473263
N-benzyl-3-(2-methoxyanilino)propanamide
CID 109018840
4-[(2-cyano-3-fluoroanilino)methyl]benzamide
CID 43399540
3-chloro-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580715
2-(3-benzylsulfonylpropylamino)-6-fluorobenzonitrile
CID 51106901
N-[2-(2-cyano-3-fluoroanilino)ethyl]-2-iodobenzamide
CID 55753853
3-amino-N-(2-cyano-3-fluorophenyl)propanamide
CID 43580751
1-[2-(2-cyano-3-fluoroanilino)ethyl]-3-(2-pyrrol-1-ylethyl)urea
CID 86778688

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide?
The IUPAC name of N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide (CID 133279513) is N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide.
What is the SMILES notation for N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide?
The canonical SMILES for N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide is N#Cc1c(F)cccc1NCCC(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide?
The InChIKey is VNQJDGNUGPDSEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-15-7-4-8-16(14(15)11-19)20-10-9-17(22)21-12-13-5-2-1-3-6-13/h1-8,20H,9-10,12H2,(H,21,22).
What are the key properties of N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide?
N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide has a molecular weight of 297.33 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(2-cyano-3-fluoroanilino)propanamide is sourced from PubChem (CID 133279513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).