N-(4-cyano-3-fluorophenyl)propanamide

C10H9FN2O — CID 130705875

IUPACN-(4-cyano-3-fluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(C#N)c(F)c1
InChIInChI=1S/C10H9FN2O/c1-2-10(14)13-8-4-3-7(6-12)9(11)5-8/h3-5H,2H2,1H3,(H,13,14)
InChIKeyHRGWSYHZFHNKFR-UHFFFAOYSA-N
MW192.19 g/mol
LogP2.05
Rot. Bonds2

About N-(4-cyano-3-fluorophenyl)propanamide

N-(4-cyano-3-fluorophenyl)propanamide (PubChem CID 130705875) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is N-(4-cyano-3-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-(4-cyano-3-fluorophenyl)propanamide
PubChem CID130705875
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC NameN-(4-cyano-3-fluorophenyl)propanamide
SMILESCCC(=O)Nc1ccc(C#N)c(F)c1
InChIInChI=1S/C10H9FN2O/c1-2-10(14)13-8-4-3-7(6-12)9(11)5-8/h3-5H,2H2,1H3,(H,13,14)
InChIKeyHRGWSYHZFHNKFR-UHFFFAOYSA-N
XLogP2.05
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-[2-(4-cyano-3-fluorophenoxy)acetyl]phenyl]propanamide
CID 122134917
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-butan-2-yl-3-(4-cyano-3-fluoroanilino)propanamide
CID 115367391
2-fluoro-4-(propylamino)benzonitrile
CID 115366947
2-(4-cyano-3-fluoroanilino)acetic acid
CID 127019892
N-(3-fluoro-4-methylsulfinylphenyl)propanamide
CID 154749149
2-cyano-N-(3-fluoro-4-methylphenyl)acetamide
CID 24693898
N-(2-cyano-4-fluorophenyl)propanamide
CID 79952819
N-(3,4-dicyanophenyl)pentanamide
CID 113240271
benzyl N-(4-cyano-3-fluorophenyl)carbamate
CID 131116637
4-(butan-2-ylamino)-2-fluorobenzonitrile
CID 115366955
N-[4-(difluoromethoxy)-3-fluorophenyl]propanamide
CID 61062106

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-3-fluorophenyl)propanamide?
The IUPAC name of N-(4-cyano-3-fluorophenyl)propanamide (CID 130705875) is N-(4-cyano-3-fluorophenyl)propanamide.
What is the SMILES notation for N-(4-cyano-3-fluorophenyl)propanamide?
The canonical SMILES for N-(4-cyano-3-fluorophenyl)propanamide is CCC(=O)Nc1ccc(C#N)c(F)c1.
What is the InChIKey of N-(4-cyano-3-fluorophenyl)propanamide?
The InChIKey is HRGWSYHZFHNKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-2-10(14)13-8-4-3-7(6-12)9(11)5-8/h3-5H,2H2,1H3,(H,13,14).
What are the key properties of N-(4-cyano-3-fluorophenyl)propanamide?
N-(4-cyano-3-fluorophenyl)propanamide has a molecular weight of 192.19 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-3-fluorophenyl)propanamide is sourced from PubChem (CID 130705875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).