N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide

C18H18FNO2 — CID 163430114

IUPACN-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C18H18FNO2/c1-2-20-18(22)12-11-17(21)14-9-7-13(8-10-14)15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyAPTHNDOPFRDPBL-UHFFFAOYSA-N
MW299.35 g/mol
LogP3.59
Rot. Bonds6

About N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide

N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide (PubChem CID 163430114) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide.

Molecular Properties

Compound NameN-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide
PubChem CID163430114
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC NameN-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide
SMILESCCNC(=O)CCC(=O)c1ccc(-c2ccccc2F)cc1
InChIInChI=1S/C18H18FNO2/c1-2-20-18(22)12-11-17(21)14-9-7-13(8-10-14)15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H,20,22)
InChIKeyAPTHNDOPFRDPBL-UHFFFAOYSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

propyl 4-[4-(2-fluorophenyl)phenyl]-4-oxobutanoate
CID 21437990
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388
2-fluoro-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 108538205
N-ethyl-2-[2-(2-fluorophenyl)phenyl]acetamide
CID 58433976
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-oxo-4-(4-phenylphenyl)butanamide
CID 9470610
1-[4-(2-fluorophenyl)phenyl]-2-(3,5,7-triaza-1-azoniatricyclo[3.3.1.13,7]decan-1-yl)ethanone bromide
CID 15085987
4-(3,4-dimethylphenyl)-N-ethyl-4-oxobutanamide
CID 94261400
(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid
CID 82544074
1-[4-(3-fluoro-2-methylphenyl)phenyl]propan-1-one
CID 115502807
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
4-(4-ethoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]-4-oxobutanamide
CID 9224439
1,4-bis(2-fluorophenyl)benzene
CID 58121760

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide?
The IUPAC name of N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide (CID 163430114) is N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide.
What is the SMILES notation for N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide?
The canonical SMILES for N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide is CCNC(=O)CCC(=O)c1ccc(-c2ccccc2F)cc1.
What is the InChIKey of N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide?
The InChIKey is APTHNDOPFRDPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-2-20-18(22)12-11-17(21)14-9-7-13(8-10-14)15-5-3-4-6-16(15)19/h3-10H,2,11-12H2,1H3,(H,20,22).
What are the key properties of N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide?
N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide has a molecular weight of 299.35 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(2-fluorophenyl)phenyl]-4-oxobutanamide is sourced from PubChem (CID 163430114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).