2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide

C19H22ClNO3 — CID 54856773

IUPAC2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-13(18(22)15-7-5-4-6-8-15)21(3)19(23)14(2)24-17-11-9-16(20)10-12-17/h4-14,18,22H,1-3H3
InChIKeySFVVQZUNEGUWCU-UHFFFAOYSA-N
MW347.84 g/mol
LogP3.69
Rot. Bonds6

About 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide

2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide (PubChem CID 54856773) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide
PubChem CID54856773
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide
SMILESCC(Oc1ccc(Cl)cc1)C(=O)N(C)C(C)C(O)c1ccccc1
InChIInChI=1S/C19H22ClNO3/c1-13(18(22)15-7-5-4-6-8-15)21(3)19(23)14(2)24-17-11-9-16(20)10-12-17/h4-14,18,22H,1-3H3
InChIKeySFVVQZUNEGUWCU-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 102065194
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 2094690
N-methyl-2-(4-phenylphenoxy)-N-propan-2-ylpropanamide
CID 78859617
(2S)-2-(4-chlorophenoxy)-1-phenylpropan-1-one
CID 94165642
ethyl (2R,3S)-2-(4-chlorophenoxy)-3-hydroxy-3-phenylpropanoate
CID 23249797
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpentanamide
CID 100922135
2-(4-chlorophenoxy)-N-(1-phenylethoxy)propanamide
CID 170322536
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide;N-[(2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzamide
CID 158962259
4-chloro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylbenzenesulfonamide
CID 7062742
(2S,3S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2,4,4-tetramethyl-3-phenylpentanamide
CID 102384841
1-(1-hydroxy-1-phenylpropan-2-yl)-1,3-dimethylurea
CID 23264849
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpropanamide
CID 11138684

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide (CID 54856773) is 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide is CC(Oc1ccc(Cl)cc1)C(=O)N(C)C(C)C(O)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide?
The InChIKey is SFVVQZUNEGUWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-13(18(22)15-7-5-4-6-8-15)21(3)19(23)14(2)24-17-11-9-16(20)10-12-17/h4-14,18,22H,1-3H3.
What are the key properties of 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide?
2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide has a molecular weight of 347.84 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylpropanamide is sourced from PubChem (CID 54856773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).