N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide

C18H17ClFNO3 — CID 9165977

IUPACN-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H17ClFNO3/c1-2-24-14-6-3-12(4-7-14)17(22)9-10-18(23)21-13-5-8-16(20)15(19)11-13/h3-8,11H,2,9-10H2,1H3,(H,21,23)
InChIKeyMHWJEGAQRADSAB-UHFFFAOYSA-N
MW349.79 g/mol
LogP4.48
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide

N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide (PubChem CID 9165977) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
PubChem CID9165977
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
SMILESCCOc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C18H17ClFNO3/c1-2-24-14-6-3-12(4-7-14)17(22)9-10-18(23)21-13-5-8-16(20)15(19)11-13/h3-8,11H,2,9-10H2,1H3,(H,21,23)
InChIKeyMHWJEGAQRADSAB-UHFFFAOYSA-N
XLogP4.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
2-chloro-5-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-N-methylbenzamide
CID 55835897
4-(4-ethoxyphenyl)-4-oxo-N-[4-(propanoylamino)phenyl]butanamide
CID 55846229
4-(4-acetylphenoxy)-N-(3-chloro-4-fluorophenyl)butanamide
CID 2634671
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 7750963
N-(2-chloro-4-methoxyphenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 86860404
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133058
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
2,5-dichloro-N'-[4-(4-ethoxyphenyl)-4-oxobutanoyl]benzohydrazide
CID 7910651
N-(5-acetamido-2-fluorophenyl)-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55551846
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide (CID 9165977) is N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide is CCOc1ccc(C(=O)CCC(=O)Nc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
The InChIKey is MHWJEGAQRADSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c1-2-24-14-6-3-12(4-7-14)17(22)9-10-18(23)21-13-5-8-16(20)15(19)11-13/h3-8,11H,2,9-10H2,1H3,(H,21,23).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide?
N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide has a molecular weight of 349.79 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(4-ethoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 9165977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).