2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide

C15H22ClNO3 — CID 111460590

IUPAC2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCC(O)C(C)C
InChIInChI=1S/C15H22ClNO3/c1-10(2)13(18)8-9-17-15(19)11(3)20-14-7-5-4-6-12(14)16/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyJOSRRQCNSDKRDF-UHFFFAOYSA-N
MW299.80 g/mol
LogP2.63
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide

2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide (PubChem CID 111460590) has the molecular formula C15H22ClNO3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
PubChem CID111460590
Molecular FormulaC15H22ClNO3
Molecular Weight299.80 g/mol
Exact Mass299.13
IUPAC Name2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCC(O)C(C)C
InChIInChI=1S/C15H22ClNO3/c1-10(2)13(18)8-9-17-15(19)11(3)20-14-7-5-4-6-12(14)16/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyJOSRRQCNSDKRDF-UHFFFAOYSA-N
XLogP2.63
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83030471
methyl 3-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 60739964
2-(2-chlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119431400
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-(2-chlorophenoxy)-N-(2-chloroprop-2-enyl)propanamide
CID 115636700
2-(2-chlorophenoxy)-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 43058809
(2S)-2-(2-chlorophenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 26529894
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
2-(2-chlorophenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220502
ethyl 4-[2-(2-chlorophenoxy)propanoylamino]butanoate
CID 60739618
2-(2-chlorophenoxy)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 52988547

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide (CID 111460590) is 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide is CC(Oc1ccccc1Cl)C(=O)NCCC(O)C(C)C.
What is the InChIKey of 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide?
The InChIKey is JOSRRQCNSDKRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO3/c1-10(2)13(18)8-9-17-15(19)11(3)20-14-7-5-4-6-12(14)16/h4-7,10-11,13,18H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide?
2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide has a molecular weight of 299.80 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-(3-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 111460590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).