2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide

C14H18ClNO3 — CID 2932985

IUPAC2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H18ClNO3/c1-10(19-12-5-2-4-11(15)8-12)14(17)16-9-13-6-3-7-18-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyPKLMZXAZFRUGTM-UHFFFAOYSA-N
MW283.75 g/mol
LogP2.40
Rot. Bonds5

About 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide

2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 2932985) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID2932985
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCC1CCCO1
InChIInChI=1S/C14H18ClNO3/c1-10(19-12-5-2-4-11(15)8-12)14(17)16-9-13-6-3-7-18-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,16,17)
InChIKeyPKLMZXAZFRUGTM-UHFFFAOYSA-N
XLogP2.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
(2R)-2-(4-chloro-3-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7394619
2-(3-chlorophenoxy)-N-(morpholin-2-ylmethyl)propanamide
CID 115323843
(2R)-2-(4-chloro-2-methylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 725864
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403
2-(2-chloro-5-methylphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 4512257
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide (CID 2932985) is 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCC1CCCO1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is PKLMZXAZFRUGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-10(19-12-5-2-4-11(15)8-12)14(17)16-9-13-6-3-7-18-13/h2,4-5,8,10,13H,3,6-7,9H2,1H3,(H,16,17).
What are the key properties of 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide?
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 283.75 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 2932985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).