4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide

C18H18ClNO3 — CID 110614901

IUPAC4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)NCCc1ccccc1O
InChIInChI=1S/C18H18ClNO3/c19-15-7-3-2-6-14(15)17(22)9-10-18(23)20-12-11-13-5-1-4-8-16(13)21/h1-8,21H,9-12H2,(H,20,23)
InChIKeyBLEDNYAHFGFPDN-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.37
Rot. Bonds7

About 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide

4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide (PubChem CID 110614901) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide
PubChem CID110614901
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC Name4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide
SMILESO=C(CCC(=O)c1ccccc1Cl)NCCc1ccccc1O
InChIInChI=1S/C18H18ClNO3/c19-15-7-3-2-6-14(15)17(22)9-10-18(23)20-12-11-13-5-1-4-8-16(13)21/h1-8,21H,9-12H2,(H,20,23)
InChIKeyBLEDNYAHFGFPDN-UHFFFAOYSA-N
XLogP3.37
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-hydroxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
CID 110614826
3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684846
N-[2-(2-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064188
4-(2-chlorophenyl)-N-(2-imidazo[1,5-a]pyridin-3-ylethyl)-4-oxobutanamide
CID 110630905
4-(2-chlorophenyl)-4-oxo-N-(3-pyridin-3-ylpropyl)butanamide
CID 110607164
4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
N-[2-(2-hydroxyphenyl)ethyl]-4-phenoxybutanamide
CID 110605250
4-(2-chlorophenyl)-N-(cyclopentylmethyl)-4-oxobutanamide
CID 110627614
N-[2-(2-hydroxyphenyl)ethyl]-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110427199
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
3-cyclohexyl-N-[2-(2-hydroxyphenyl)ethyl]propanamide
CID 110483602
4-(2-fluorophenyl)-N-[2-(4-fluorophenyl)ethyl]-4-oxobutanamide
CID 110411259

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide?
The IUPAC name of 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide (CID 110614901) is 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide?
The canonical SMILES for 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide is O=C(CCC(=O)c1ccccc1Cl)NCCc1ccccc1O.
What is the InChIKey of 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide?
The InChIKey is BLEDNYAHFGFPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-15-7-3-2-6-14(15)17(22)9-10-18(23)20-12-11-13-5-1-4-8-16(13)21/h1-8,21H,9-12H2,(H,20,23).
What are the key properties of 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide?
4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide has a molecular weight of 331.80 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide is sourced from PubChem (CID 110614901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).