2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide

C19H22ClNO3 — CID 54856949

IUPAC2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)C(C)C(O)c2ccccc2)ccc1Cl
InChIInChI=1S/C19H22ClNO3/c1-13-11-16(9-10-17(13)20)24-12-18(22)21(3)14(2)19(23)15-7-5-4-6-8-15/h4-11,14,19,23H,12H2,1-3H3
InChIKeyLKBRDFDMQLORCY-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.61
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide

2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide (PubChem CID 54856949) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
PubChem CID54856949
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
SMILESCc1cc(OCC(=O)N(C)C(C)C(O)c2ccccc2)ccc1Cl
InChIInChI=1S/C19H22ClNO3/c1-13-11-16(9-10-17(13)20)24-12-18(22)21(3)14(2)19(23)15-7-5-4-6-8-15/h4-11,14,19,23H,12H2,1-3H3
InChIKeyLKBRDFDMQLORCY-UHFFFAOYSA-N
XLogP3.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(4-phenylphenoxy)acetamide
CID 54856794
2-(2-bromo-4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856930
2-(2-bromo-4,6-dichlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856918
2-(2,3-dimethylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide
CID 54856919
2-(4-chloro-3-methylphenoxy)-N-(1-phenylethyl)acetamide
CID 2903059
2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 883675
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
2-(4-chloro-3-methylphenoxy)-1-phenylethanone
CID 54035942
2-(4-chloro-3-methylphenoxy)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039684
2-(4-chloro-3-methylphenoxy)-N-[(2-methylphenyl)-phenylmethyl]acetamide
CID 43915739
(2R)-2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-2-phenylacetamide
CID 51492437
2-(4-chloro-3-methylphenoxy)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202418

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide (CID 54856949) is 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide is Cc1cc(OCC(=O)N(C)C(C)C(O)c2ccccc2)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
The InChIKey is LKBRDFDMQLORCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13-11-16(9-10-17(13)20)24-12-18(22)21(3)14(2)19(23)15-7-5-4-6-8-15/h4-11,14,19,23H,12H2,1-3H3.
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide?
2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide has a molecular weight of 347.84 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylacetamide is sourced from PubChem (CID 54856949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).