3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide

C18H20ClNO2 — CID 111119972

IUPAC3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(O)CNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-13-6-2-4-8-15(13)17(21)12-20-18(22)11-10-14-7-3-5-9-16(14)19/h2-9,17,21H,10-12H2,1H3,(H,20,22)
InChIKeyBBDQFACRYQLSDO-UHFFFAOYSA-N
MW317.82 g/mol
LogP3.43
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide

3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide (PubChem CID 111119972) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
PubChem CID111119972
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide
SMILESCc1ccccc1C(O)CNC(=O)CCc1ccccc1Cl
InChIInChI=1S/C18H20ClNO2/c1-13-6-2-4-8-15(13)17(21)12-20-18(22)11-10-14-7-3-5-9-16(14)19/h2-9,17,21H,10-12H2,1H3,(H,20,22)
InChIKeyBBDQFACRYQLSDO-UHFFFAOYSA-N
XLogP3.43
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylethyl)propanamide
CID 43391345
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-4-methylpentanamide
CID 111119754
1-[2-(2-chlorophenyl)-2-hydroxyethyl]-3-[(2-methylphenyl)methyl]urea
CID 111454036
3-(2-chlorophenyl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686344
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-(methylamino)acetamide
CID 119784439
N'-[2-(2-chlorophenyl)-2-hydroxyethyl]-N-ethylpentanediamide
CID 111450926
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4,4-dimethylpentanamide
CID 111450920
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-phenylmethoxypropanamide
CID 111120094
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-[3-[[2-hydroxy-2-(2-methylphenyl)ethyl]amino]-3-oxopropyl]cyclohexanecarboxamide
CID 111120078

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide (CID 111119972) is 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide is Cc1ccccc1C(O)CNC(=O)CCc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide?
The InChIKey is BBDQFACRYQLSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-13-6-2-4-8-15(13)17(21)12-20-18(22)11-10-14-7-3-5-9-16(14)19/h2-9,17,21H,10-12H2,1H3,(H,20,22).
What are the key properties of 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide?
3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide has a molecular weight of 317.82 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 111119972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).