N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide

C20H21FN2O — CID 56571896

IUPACN-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NC(C#N)c2ccccc2F)cc1
InChIInChI=1S/C20H21FN2O/c1-14(2)16-10-7-15(8-11-16)9-12-20(24)23-19(13-22)17-5-3-4-6-18(17)21/h3-8,10-11,14,19H,9,12H2,1-2H3,(H,23,24)
InChIKeyKILXTUJVWIWREH-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.26
Rot. Bonds6

About N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide

N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide (PubChem CID 56571896) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
PubChem CID56571896
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC NameN-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccc(CCC(=O)NC(C#N)c2ccccc2F)cc1
InChIInChI=1S/C20H21FN2O/c1-14(2)16-10-7-15(8-11-16)9-12-20(24)23-19(13-22)17-5-3-4-6-18(17)21/h3-8,10-11,14,19H,9,12H2,1-2H3,(H,23,24)
InChIKeyKILXTUJVWIWREH-UHFFFAOYSA-N
XLogP4.26
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-cyano-(2-fluorophenyl)methyl]-3-propan-2-yloxypropanamide
CID 95617367
3-(4-aminophenyl)-N-[1-(2-fluorophenyl)ethyl]propanamide
CID 61117007
(2R)-N-[(S)-cyano-(2-fluorophenyl)methyl]-2-methylbutanamide
CID 95617372
N-methyl-3-(4-propan-2-ylphenyl)propanamide
CID 41455606
2-fluoro-N-[2-[3-(4-propan-2-ylphenyl)propanoylamino]ethyl]benzamide
CID 55974318
N-[(R)-cyano-(2-fluorophenyl)methyl]-3-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)propanamide
CID 97228566
N-[cyano-(2-fluorophenyl)methyl]-2-(3,5-dimethylpyrazolidin-4-yl)acetamide
CID 164643765
3-[3-(4-propan-2-ylphenyl)propanoylamino]butanoic acid
CID 119221299
N-[1-(2-fluorophenyl)ethyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 47007316
N-[cyano-(2-fluorophenyl)methyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 56572302
4-(3-bromophenoxy)-N-[cyano-(2-fluorophenyl)methyl]butanamide
CID 56514887
3-(4-fluorophenyl)-N-(1-phenylethyl)propanamide
CID 47112649

Frequently Asked Questions

What is the IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The IUPAC name of N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide (CID 56571896) is N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide is CC(C)c1ccc(CCC(=O)NC(C#N)c2ccccc2F)cc1.
What is the InChIKey of N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
The InChIKey is KILXTUJVWIWREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-14(2)16-10-7-15(8-11-16)9-12-20(24)23-19(13-22)17-5-3-4-6-18(17)21/h3-8,10-11,14,19H,9,12H2,1-2H3,(H,23,24).
What are the key properties of N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide?
N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide has a molecular weight of 324.40 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano-(2-fluorophenyl)methyl]-3-(4-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 56571896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).