3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide

C19H22ClNO3 — CID 110629514

IUPAC3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1cccc(C(O)CN(C)C(=O)CCc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClNO3/c1-21(13-18(22)15-7-5-8-16(12-15)24-2)19(23)11-10-14-6-3-4-9-17(14)20/h3-9,12,18,22H,10-11,13H2,1-2H3
InChIKeyUJHNZNLOMXMPSC-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.47
Rot. Bonds7

About 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide

3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide (PubChem CID 110629514) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
PubChem CID110629514
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
SMILESCOc1cccc(C(O)CN(C)C(=O)CCc2ccccc2Cl)c1
InChIInChI=1S/C19H22ClNO3/c1-21(13-18(22)15-7-5-8-16(12-15)24-2)19(23)11-10-14-6-3-4-9-17(14)20/h3-9,12,18,22H,10-11,13H2,1-2H3
InChIKeyUJHNZNLOMXMPSC-UHFFFAOYSA-N
XLogP3.47
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-N-methylbutanamide
CID 110629772
2-(5-chloro-1H-indol-3-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 110629562
methyl 3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]-methylamino]propanoate
CID 78966550
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(2-methylphenyl)propanamide
CID 110663371
3-(2-chlorophenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 115673311
N-tert-butyl-2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132711801
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110629519
2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-propylpropanamide
CID 132665296
2-[3-(2-chlorophenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-methylbutanamide
CID 132661961
3-(2-chlorophenyl)-N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]propanamide
CID 34778531
1-benzoyl-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110308753
3-(2,5-dimethoxyphenyl)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylpropanamide
CID 95972002

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide (CID 110629514) is 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide is COc1cccc(C(O)CN(C)C(=O)CCc2ccccc2Cl)c1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide?
The InChIKey is UJHNZNLOMXMPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-21(13-18(22)15-7-5-8-16(12-15)24-2)19(23)11-10-14-6-3-4-9-17(14)20/h3-9,12,18,22H,10-11,13H2,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide?
3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide has a molecular weight of 347.84 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpropanamide is sourced from PubChem (CID 110629514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).