N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide

C18H18ClNO3 — CID 111450915

IUPACN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCC(O)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO3/c19-15-9-5-4-8-14(15)17(22)12-20-18(23)11-10-16(21)13-6-2-1-3-7-13/h1-9,17,22H,10-12H2,(H,20,23)
InChIKeyHCZBBKFOHUGGTI-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.15
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide (PubChem CID 111450915) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
PubChem CID111450915
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide
SMILESO=C(CCC(=O)c1ccccc1)NCC(O)c1ccccc1Cl
InChIInChI=1S/C18H18ClNO3/c19-15-9-5-4-8-14(15)17(22)12-20-18(23)11-10-16(21)13-6-2-1-3-7-13/h1-9,17,22H,10-12H2,(H,20,23)
InChIKeyHCZBBKFOHUGGTI-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 111451146
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
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(3-fluorophenyl)propanamide
CID 111451187
N-(4-hydroxy-2-methylpentyl)-4-oxo-4-phenylbutanamide
CID 111447676
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-(cyclopropylmethoxy)acetamide
CID 111450934
carbamoyl N-[2-(2-chlorophenyl)-2-hydroxyethyl]carbamate
CID 23292408
N-[2-(methylamino)propyl]-4-oxo-4-phenylbutanamide;hydrochloride
CID 120829828
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111450825
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
CID 111119972
N-but-3-ynyl-4-oxo-4-phenylbutanamide
CID 90537846

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide (CID 111450915) is N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide is O=C(CCC(=O)c1ccccc1)NCC(O)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide?
The InChIKey is HCZBBKFOHUGGTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c19-15-9-5-4-8-14(15)17(22)12-20-18(23)11-10-16(21)13-6-2-1-3-7-13/h1-9,17,22H,10-12H2,(H,20,23).
What are the key properties of N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide?
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-oxo-4-phenylbutanamide has a molecular weight of 331.80 g/mol, XLogP of 3.15, 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-oxo-4-phenylbutanamide is sourced from PubChem (CID 111450915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).