3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide

C15H19Cl2NO3 — CID 111471477

IUPAC3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1Cl)NCC1CCCC1O
InChIInChI=1S/C15H19Cl2NO3/c16-11-4-2-6-13(15(11)17)21-8-7-14(20)18-9-10-3-1-5-12(10)19/h2,4,6,10,12,19H,1,3,5,7-9H2,(H,18,20)
InChIKeyOQEDTTMYYGDPLK-UHFFFAOYSA-N
MW332.23 g/mol
LogP3.04
Rot. Bonds6

About 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide

3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide (PubChem CID 111471477) has the molecular formula C15H19Cl2NO3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
PubChem CID111471477
Molecular FormulaC15H19Cl2NO3
Molecular Weight332.23 g/mol
Exact Mass331.07
IUPAC Name3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESO=C(CCOc1cccc(Cl)c1Cl)NCC1CCCC1O
InChIInChI=1S/C15H19Cl2NO3/c16-11-4-2-6-13(15(11)17)21-8-7-14(20)18-9-10-3-1-5-12(10)19/h2,4,6,10,12,19H,1,3,5,7-9H2,(H,18,20)
InChIKeyOQEDTTMYYGDPLK-UHFFFAOYSA-N
XLogP3.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2R)-2-[[3-(2-chlorophenoxy)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 108811024
3-(2-chlorophenoxy)-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 66004697
3-(2-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 51077938
3-(2-chlorophenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 94087930
3-(2,6-dichlorophenyl)-N-[(2-hydroxycyclopentyl)methyl]prop-2-enamide
CID 77125042
3-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]-N-ethylpropanamide
CID 114319182
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(2,3-dichlorophenoxy)propanamide
CID 86822832
4-[[4-(2-chlorophenoxy)butanoylamino]methyl]cyclohexane-1-carboxamide
CID 75534315
3-[2-(2-chlorophenoxy)ethyl]-1-[[(1R,2S)-2-hydroxycyclopentyl]methyl]-1-methylurea
CID 97242852
N-cyclopentyl-2-(2,3-dichlorophenoxy)acetamide
CID 2602948
3-(2-aminophenyl)-N-[(2-hydroxycyclopentyl)methyl]propanamide
CID 107273176
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide (CID 111471477) is 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide is O=C(CCOc1cccc(Cl)c1Cl)NCC1CCCC1O.
What is the InChIKey of 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is OQEDTTMYYGDPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO3/c16-11-4-2-6-13(15(11)17)21-8-7-14(20)18-9-10-3-1-5-12(10)19/h2,4,6,10,12,19H,1,3,5,7-9H2,(H,18,20).
What are the key properties of 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 332.23 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 111471477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).