(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide

C17H18ClNO3 — CID 9497360

IUPAC(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
SMILESC[C@H](O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-11(20)13-5-3-7-15(9-13)19-17(21)12(2)22-16-8-4-6-14(18)10-16/h3-12,20H,1-2H3,(H,19,21)/t11-,12+/m0/s1
InChIKeyFKJFGXYWMKEKJF-NWDGAFQWSA-N
MW319.79 g/mol
LogP3.80
Rot. Bonds5

About (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide

(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide (PubChem CID 9497360) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
PubChem CID9497360
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC Name(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide
SMILESC[C@H](O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1
InChIInChI=1S/C17H18ClNO3/c1-11(20)13-5-3-7-15(9-13)19-17(21)12(2)22-16-8-4-6-14(18)10-16/h3-12,20H,1-2H3,(H,19,21)/t11-,12+/m0/s1
InChIKeyFKJFGXYWMKEKJF-NWDGAFQWSA-N
XLogP3.80
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-chlorophenoxy)-N-(3-chlorophenyl)propanamide
CID 966245
(2S)-N-(3-chlorophenyl)-2-(3,5-dichlorophenoxy)propanamide
CID 7467081
(2R)-N-(3-bromophenyl)-2-(3-chlorophenoxy)propanamide
CID 7923289
(2S)-2-(3-chlorophenoxy)-N-(3-iodophenyl)propanamide
CID 1313423
N-(3-acetylphenyl)-2-(3-chlorophenoxy)propanamide
CID 2931462
(2S)-N-(3-chlorophenyl)-2-(3-methylphenoxy)propanamide
CID 2231697
2-(3-chlorophenoxy)-N-(3-methylsulfanylphenyl)propanamide
CID 11839697
(2S)-2-(3-bromophenoxy)-N-(3-chlorophenyl)propanamide
CID 7818276
(2S)-2-(3-chlorophenoxy)-N-(4-methylphenyl)propanamide
CID 897721
N-(4-amino-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 62229280
N-[3-[2-(3-chlorophenoxy)propanoylamino]phenyl]pyridine-4-carboxamide
CID 55610413
(2R)-N-(4-bromo-3-methylphenyl)-2-(3-chlorophenoxy)propanamide
CID 92647263

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide (CID 9497360) is (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide is C[C@H](O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide?
The InChIKey is FKJFGXYWMKEKJF-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-11(20)13-5-3-7-15(9-13)19-17(21)12(2)22-16-8-4-6-14(18)10-16/h3-12,20H,1-2H3,(H,19,21)/t11-,12+/m0/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide?
(2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide has a molecular weight of 319.79 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-N-[3-[(1S)-1-hydroxyethyl]phenyl]propanamide is sourced from PubChem (CID 9497360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).