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

C14H18ClNO2 — CID 19237283

IUPAC3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC1CCCO1
InChIInChI=1S/C14H18ClNO2/c15-12-4-1-3-11(9-12)6-7-14(17)16-10-13-5-2-8-18-13/h1,3-4,9,13H,2,5-8,10H2,(H,16,17)
InChIKeyXEJLQTCZXLDNOH-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.57
Rot. Bonds5

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

3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 19237283) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID19237283
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCc1cccc(Cl)c1)NCC1CCCO1
InChIInChI=1S/C14H18ClNO2/c15-12-4-1-3-11(9-12)6-7-14(17)16-10-13-5-2-8-18-13/h1,3-4,9,13H,2,5-8,10H2,(H,16,17)
InChIKeyXEJLQTCZXLDNOH-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylphenyl)-N-(oxolan-2-ylmethyl)propanamide
CID 110755294
1-N-[2-(3-chlorophenyl)ethyl]-4-N-(oxolan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109146941
N-[2-(3-chlorophenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 108994281
3-(3,4-dimethoxyphenyl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30392326
N'-[[(2S)-oxolan-2-yl]methyl]-N-(2-phenylethyl)butanediamide
CID 7303399
3-[3-(3-chlorophenyl)-5-oxo-4H-1,2,4-triazin-6-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 135872269
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803969
1-[(3-chlorophenyl)methyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111137403
3-(2,5-dichloroanilino)-N-(oxolan-2-ylmethyl)propanamide
CID 109015968
N-(3-chlorophenyl)-5-[4-oxo-4-(oxolan-2-ylmethylamino)butyl]-1,3,4-thiadiazole-2-carboxamide
CID 46320235
2-(3-iodophenyl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97077481
N-[[(2S)-oxolan-2-yl]methyl]-3-thiophen-2-ylpropanamide
CID 93174433

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide (CID 19237283) is 3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide is O=C(CCc1cccc(Cl)c1)NCC1CCCO1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is XEJLQTCZXLDNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c15-12-4-1-3-11(9-12)6-7-14(17)16-10-13-5-2-8-18-13/h1,3-4,9,13H,2,5-8,10H2,(H,16,17).
What are the key properties of 3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide?
3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 267.76 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 19237283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).