4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide

C17H15ClFNO3 — CID 108808249

IUPAC4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C17H15ClFNO3/c1-23-16-8-6-11(18)10-12(16)15(21)7-9-17(22)20-14-5-3-2-4-13(14)19/h2-6,8,10H,7,9H2,1H3,(H,20,22)
InChIKeyDSDYEYRTBMNKSQ-UHFFFAOYSA-N
MW335.76 g/mol
LogP4.09
Rot. Bonds6

About 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide

4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide (PubChem CID 108808249) has the molecular formula C17H15ClFNO3 and a molecular weight of 335.76 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
PubChem CID108808249
Molecular FormulaC17H15ClFNO3
Molecular Weight335.76 g/mol
Exact Mass335.07
IUPAC Name4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide
SMILESCOc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C17H15ClFNO3/c1-23-16-8-6-11(18)10-12(16)15(21)7-9-17(22)20-14-5-3-2-4-13(14)19/h2-6,8,10H,7,9H2,1H3,(H,20,22)
InChIKeyDSDYEYRTBMNKSQ-UHFFFAOYSA-N
XLogP4.09
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.76
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-chloro-2-methoxyphenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
CID 108796899
4-(5-chloro-2-methoxyphenyl)-N-(2,5-dimethoxyphenyl)-4-oxobutanamide
CID 108796947
methyl 3-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoate
CID 108745871
4-(5-chloro-2-methoxyphenyl)-N-(2,4-dimethylphenyl)-4-oxobutanamide
CID 108796959
4-(5-chloro-2-methoxyphenyl)-N-naphthalen-2-yl-4-oxobutanamide
CID 108797024
4-(5-chloro-2-methoxyphenyl)-N-(2-methoxy-5-nitrophenyl)-4-oxobutanamide
CID 108797085
N-(3-bromophenyl)-4-(5-chloro-2-methoxyphenyl)-4-oxobutanamide
CID 108797043
4-[[4-(5-chloro-2-methoxyphenyl)-4-oxobutanoyl]amino]-2-hydroxybenzoic acid
CID 108808232
4-(5-chloro-2-methoxyphenyl)-4-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 108808305
N-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 9413379
1-(2,5-dichlorophenyl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 90363445
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 7582401

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide (CID 108808249) is 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide is COc1ccc(Cl)cc1C(=O)CCC(=O)Nc1ccccc1F.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide?
The InChIKey is DSDYEYRTBMNKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO3/c1-23-16-8-6-11(18)10-12(16)15(21)7-9-17(22)20-14-5-3-2-4-13(14)19/h2-6,8,10H,7,9H2,1H3,(H,20,22).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide?
4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide has a molecular weight of 335.76 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-N-(2-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 108808249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).