N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide

C18H17ClFNO3 — CID 111451146

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCC(O)c1ccccc1Cl
InChIInChI=1S/C18H17ClFNO3/c19-15-4-2-1-3-14(15)17(23)11-21-18(24)10-9-16(22)12-5-7-13(20)8-6-12/h1-8,17,23H,9-11H2,(H,21,24)
InChIKeyQYAGDHGNDAWEKS-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.29
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 111451146) has the molecular formula C18H17ClFNO3 and a molecular weight of 349.79 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID111451146
Molecular FormulaC18H17ClFNO3
Molecular Weight349.79 g/mol
Exact Mass349.09
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccc(F)cc1)NCC(O)c1ccccc1Cl
InChIInChI=1S/C18H17ClFNO3/c19-15-4-2-1-3-14(15)17(23)11-21-18(24)10-9-16(22)12-5-7-13(20)8-6-12/h1-8,17,23H,9-11H2,(H,21,24)
InChIKeyQYAGDHGNDAWEKS-UHFFFAOYSA-N
XLogP3.29
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
CID 111450915
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-4-oxobutanamide
CID 110899045
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
CID 111451187
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
N-[2-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-oxoethyl]butanamide
CID 111451181
4-(4-fluorophenyl)-N-(3-hydroxy-3-phenylpropyl)-4-oxobutanamide
CID 111471521
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 111451028
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 42959835
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide (CID 111451146) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide is O=C(CCC(=O)c1ccc(F)cc1)NCC(O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is QYAGDHGNDAWEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFNO3/c19-15-4-2-1-3-14(15)17(23)11-21-18(24)10-9-16(22)12-5-7-13(20)8-6-12/h1-8,17,23H,9-11H2,(H,21,24).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 349.79 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 111451146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).