2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide

C16H22ClNO3 — CID 78933522

IUPAC2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(Cl)cc1[C@H](C)O)C(=O)NC1CCCC1
InChIInChI=1S/C16H22ClNO3/c1-10(19)14-9-12(17)7-8-15(14)21-11(2)16(20)18-13-5-3-4-6-13/h7-11,13,19H,3-6H2,1-2H3,(H,18,20)/t10-,11?/m0/s1
InChIKeyPXXZAUSSRJYPFP-VUWPPUDQSA-N
MW311.81 g/mol
LogP3.22
Rot. Bonds5

About 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide

2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide (PubChem CID 78933522) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide.

Molecular Properties

Compound Name2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
PubChem CID78933522
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide
SMILESCC(Oc1ccc(Cl)cc1[C@H](C)O)C(=O)NC1CCCC1
InChIInChI=1S/C16H22ClNO3/c1-10(19)14-9-12(17)7-8-15(14)21-11(2)16(20)18-13-5-3-4-6-13/h7-11,13,19H,3-6H2,1-2H3,(H,18,20)/t10-,11?/m0/s1
InChIKeyPXXZAUSSRJYPFP-VUWPPUDQSA-N
XLogP3.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-cycloheptylpropanamide
CID 2932831
(2R)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898786
(2S)-N-cyclopropyl-2-(2,4-dichlorophenoxy)propanamide
CID 898785
2-[2-(2-aminoethyl)-4-chlorophenoxy]-N-cyclopentylpropanamide
CID 60905070
2-[4-bromo-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopropylpropanamide
CID 78932641
N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-5-methylphenoxy]propanamide
CID 63650924
N-cyclopentyl-2-[3-fluoro-4-(1-hydroxyethyl)phenoxy]propanamide
CID 107719756
(2S)-2-(2-chloro-4-phenylphenoxy)-N-cyclopentylpropanamide
CID 7652970
N-cycloheptyl-2-(2-propan-2-ylphenoxy)propanamide
CID 43904274
(2S)-2-(4-chloronaphthalen-1-yl)oxy-N-cyclopentylpropanamide
CID 8021445
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
N-cyclopentyl-2-[2-(1-hydroxypropyl)phenoxy]propanamide
CID 43503517

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide?
The IUPAC name of 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide (CID 78933522) is 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide.
What is the SMILES notation for 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide?
The canonical SMILES for 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide is CC(Oc1ccc(Cl)cc1[C@H](C)O)C(=O)NC1CCCC1.
What is the InChIKey of 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide?
The InChIKey is PXXZAUSSRJYPFP-VUWPPUDQSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-10(19)14-9-12(17)7-8-15(14)21-11(2)16(20)18-13-5-3-4-6-13/h7-11,13,19H,3-6H2,1-2H3,(H,18,20)/t10-,11?/m0/s1.
What are the key properties of 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide?
2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide has a molecular weight of 311.81 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-cyclopentylpropanamide is sourced from PubChem (CID 78933522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).