(3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide

C19H22ClNO3 — CID 974812

IUPAC(3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESCCN(CCO)C(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H22ClNO3/c1-2-21(10-11-22)19(24)13-16(14-6-4-3-5-7-14)17-12-15(20)8-9-18(17)23/h3-9,12,16,22-23H,2,10-11,13H2,1H3/t16-/m1/s1
InChIKeyXSVAJXUWLGSBIN-MRXNPFEDSA-N
MW347.84 g/mol
LogP3.41
Rot. Bonds7

About (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide

(3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide (PubChem CID 974812) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide
PubChem CID974812
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide
SMILESCCN(CCO)C(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O
InChIInChI=1S/C19H22ClNO3/c1-2-21(10-11-22)19(24)13-16(14-6-4-3-5-7-14)17-12-15(20)8-9-18(17)23/h3-9,12,16,22-23H,2,10-11,13H2,1H3/t16-/m1/s1
InChIKeyXSVAJXUWLGSBIN-MRXNPFEDSA-N
XLogP3.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 2958205
3-(5-chloro-2-hydroxyphenyl)-3-phenylpropanoate
CID 4614539
3-acetamido-3-(4-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)propanamide
CID 78855440
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
3-(5-chloro-2-hydroxyphenyl)-N-cyclohexyl-3-phenylpropanamide
CID 2952080
2-amino-N-ethyl-N-(2-hydroxyethyl)-2-phenylacetamide;hydrochloride
CID 110897047
N-[4-[ethyl(2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 78855760
[(3R)-3-(5-chloro-2-hydroxyphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium
CID 10203666
3-(5-chloro-2-hydroxyphenyl)butanoic acid
CID 131360559
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
CID 107482538
3,3-bis(4-chlorophenyl)-N-(2-hydroxyethyl)-N-methylpropanamide
CID 22949885
3-amino-N-ethyl-N-(2-hydroxyethyl)-2-methyl-3-phenylpropanamide
CID 80552105

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide?
The IUPAC name of (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide (CID 974812) is (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide?
The canonical SMILES for (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide is CCN(CCO)C(=O)C[C@H](c1ccccc1)c1cc(Cl)ccc1O.
What is the InChIKey of (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide?
The InChIKey is XSVAJXUWLGSBIN-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-2-21(10-11-22)19(24)13-16(14-6-4-3-5-7-14)17-12-15(20)8-9-18(17)23/h3-9,12,16,22-23H,2,10-11,13H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide?
(3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide has a molecular weight of 347.84 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(5-chloro-2-hydroxyphenyl)-N-ethyl-N-(2-hydroxyethyl)-3-phenylpropanamide is sourced from PubChem (CID 974812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).