2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide

C16H22ClNO3 — CID 111470995

IUPAC2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NCC2CCCC2O)c1
InChIInChI=1S/C16H22ClNO3/c1-10-6-7-13(17)15(8-10)21-11(2)16(20)18-9-12-4-3-5-14(12)19/h6-8,11-12,14,19H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyKZVZSEKHJUZRDN-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.69
Rot. Bonds5

About 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide

2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide (PubChem CID 111470995) has the molecular formula C16H22ClNO3 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
PubChem CID111470995
Molecular FormulaC16H22ClNO3
Molecular Weight311.81 g/mol
Exact Mass311.13
IUPAC Name2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide
SMILESCc1ccc(Cl)c(OC(C)C(=O)NCC2CCCC2O)c1
InChIInChI=1S/C16H22ClNO3/c1-10-6-7-13(17)15(8-10)21-11(2)16(20)18-9-12-4-3-5-14(12)19/h6-8,11-12,14,19H,3-5,9H2,1-2H3,(H,18,20)
InChIKeyKZVZSEKHJUZRDN-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 4512257
5-[[2-(2-chloro-5-methylphenoxy)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246213
(2S)-2-(2-chloro-5-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)butyl]propanamide
CID 52515244
2-(2-chloro-5-methylphenoxy)-N-(1,1-dioxothian-4-yl)propanamide
CID 146122600
2-(2-chloro-5-methylphenoxy)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119448453
N-[3,3-bis(hydroxymethyl)cyclobutyl]-2-(2-chloro-5-methylphenoxy)propanamide
CID 167827659
(2S)-2-(2-chloro-5-methylphenoxy)-N-phenylpropanamide
CID 7642896
(2R)-N-[(1S)-2-amino-2-oxo-1-phenylethyl]-2-(2-chloro-5-methylphenoxy)propanamide
CID 94058730
2-(5-methyl-2-propan-2-ylphenoxy)-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119513815
(2S)-2-(2-chloro-5-methylphenoxy)-N-(1-propylpiperidin-4-yl)propanamide
CID 27232531
2-(2-chloro-5-methylphenoxy)-N-[3-[ethylsulfonyl(methyl)amino]propyl]propanamide
CID 55837892
N-(4-aminophenyl)-2-(2-chloro-5-methylphenoxy)propanamide
CID 43364367

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The IUPAC name of 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide (CID 111470995) is 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide.
What is the SMILES notation for 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The canonical SMILES for 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide is Cc1ccc(Cl)c(OC(C)C(=O)NCC2CCCC2O)c1.
What is the InChIKey of 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
The InChIKey is KZVZSEKHJUZRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO3/c1-10-6-7-13(17)15(8-10)21-11(2)16(20)18-9-12-4-3-5-14(12)19/h6-8,11-12,14,19H,3-5,9H2,1-2H3,(H,18,20).
What are the key properties of 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide?
2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide has a molecular weight of 311.81 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-methylphenoxy)-N-[(2-hydroxycyclopentyl)methyl]propanamide is sourced from PubChem (CID 111470995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).