N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide

C20H22FNO2 — CID 9393708

IUPACN-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO2/c1-2-3-15-4-8-17(9-5-15)19(23)12-13-20(24)22-14-16-6-10-18(21)11-7-16/h4-11H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyVWHWBURIHCSWEJ-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.06
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide

N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide (PubChem CID 9393708) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
PubChem CID9393708
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC NameN-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide
SMILESCCCc1ccc(C(=O)CCC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C20H22FNO2/c1-2-3-15-4-8-17(9-5-15)19(23)12-13-20(24)22-14-16-6-10-18(21)11-7-16/h4-11H,2-3,12-14H2,1H3,(H,22,24)
InChIKeyVWHWBURIHCSWEJ-UHFFFAOYSA-N
XLogP4.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-N-propyl-4-(4-propylphenyl)butanamide
CID 94273839
4-[[3-(4-fluorophenyl)propanoylamino]methyl]benzamide
CID 51195875
3-bromo-N-[(4-fluorophenyl)methyl]propanamide
CID 82109688
4-oxo-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(4-propylphenyl)butanamide
CID 9300683
4-(4-fluorophenyl)-4-oxo-N-[(3,4,5-trimethoxyphenyl)methyl]butanamide
CID 9483235
N-[(4-fluorophenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9393455
N-[2-(4-fluorophenyl)ethyl]butanamide
CID 773504
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]pentanamide
CID 110297766
4-(4-fluorophenyl)-N-heptyl-4-oxobutanamide
CID 10402147
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
ethyl 4-[(4-fluorophenyl)methylamino]-4-oxobutanoate
CID 60637699

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide (CID 9393708) is N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide is CCCc1ccc(C(=O)CCC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide?
The InChIKey is VWHWBURIHCSWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-2-3-15-4-8-17(9-5-15)19(23)12-13-20(24)22-14-16-6-10-18(21)11-7-16/h4-11H,2-3,12-14H2,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide?
N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide has a molecular weight of 327.40 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-oxo-4-(4-propylphenyl)butanamide is sourced from PubChem (CID 9393708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).