2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide

C18H19ClN2O3 — CID 110004204

IUPAC2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC(CO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(23)20-16-8-2-13(3-9-16)10-18(24)21-17(11-22)14-4-6-15(19)7-5-14/h2-9,17,22H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyQWQDDWRSFPKWJU-UHFFFAOYSA-N
MW346.81 g/mol
LogP2.69
Rot. Bonds6

About 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide

2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide (PubChem CID 110004204) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide.

Molecular Properties

Compound Name2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
PubChem CID110004204
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide
SMILESCC(=O)Nc1ccc(CC(=O)NC(CO)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C18H19ClN2O3/c1-12(23)20-16-8-2-13(3-9-16)10-18(24)21-17(11-22)14-4-6-15(19)7-5-14/h2-9,17,22H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyQWQDDWRSFPKWJU-UHFFFAOYSA-N
XLogP2.69
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(4-hydroxyphenyl)acetamide
CID 110004632
2-(4-chlorophenyl)-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 39394106
2-(4-acetamidophenyl)-N-[(4-chlorophenyl)-cyclopropylmethyl]acetamide
CID 78806157
methyl 3-(4-chlorophenyl)-3-[[2-(4-chlorophenyl)acetyl]amino]propanoate
CID 60520015
2-(4-acetamidophenyl)-N-[(1R)-1-phenylbutyl]acetamide
CID 27856977
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-2-(3-hydroxyphenyl)acetamide
CID 110004453
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
2-(4-acetamidophenyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 134015095
2-(4-chlorophenyl)-N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]acetamide
CID 110278648
N-[4-[2-(4-chlorophenyl)acetyl]phenyl]acetamide
CID 43337926
(4-acetamidophenyl) 2-(4-chlorophenyl)acetate
CID 4938737

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide?
The IUPAC name of 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide (CID 110004204) is 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide.
What is the SMILES notation for 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide?
The canonical SMILES for 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide is CC(=O)Nc1ccc(CC(=O)NC(CO)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide?
The InChIKey is QWQDDWRSFPKWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(23)20-16-8-2-13(3-9-16)10-18(24)21-17(11-22)14-4-6-15(19)7-5-14/h2-9,17,22H,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide?
2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide has a molecular weight of 346.81 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetamidophenyl)-N-[1-(4-chlorophenyl)-2-hydroxyethyl]acetamide is sourced from PubChem (CID 110004204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).