3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide

C13H14ClNO3 — CID 44581184

IUPAC3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H14ClNO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1
InChIKeyLLVABQOHQXBNMY-NSHDSACASA-N
MW267.71 g/mol
LogP1.70
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide

3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide (PubChem CID 44581184) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide
PubChem CID44581184
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)N[C@H]1CCOC1=O
InChIInChI=1S/C13H14ClNO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1
InChIKeyLLVABQOHQXBNMY-NSHDSACASA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

beta-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]benzenebutanamide
CID 11536248
(Cyclopentylcarbamoyl)methyl 2-(4-chlorophenyl)acetate
CID 2521019
N-[(3S)-2-oxooxolan-3-yl]-4-phenylbutanamide
CID 11550533
(S)-2-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)acetamide
CID 25014705
(S)-3-(4-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)propanamide
CID 44581186
(S)-3-(3-iodophenyl)-N-(2-oxotetrahydrofuran-3-yl)propanamide
CID 44581187
(S)-N-(2-oxotetrahydrofuran-3-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 44581189
(S)-N-(2-oxotetrahydrofuran-3-yl)-3-(3-(trifluoromethyl)phenyl)propanamide
CID 44581232
Ethyl 2-[2-(4-chlorophenyl)acetamido]acetate
CID 1905085
2-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 24936642
2-(3-iodophenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 25014623
(S)-N-(2-oxotetrahydrofuran-3-yl)-2-m-tolylacetamide
CID 25014868

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide (CID 44581184) is 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide is O=C(CCc1ccc(Cl)cc1)N[C@H]1CCOC1=O.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
The InChIKey is LLVABQOHQXBNMY-NSHDSACASA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-10-4-1-9(2-5-10)3-6-12(16)15-11-7-8-18-13(11)17/h1-2,4-5,11H,3,6-8H2,(H,15,16)/t11-/m0/s1.
What are the key properties of 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide?
3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide has a molecular weight of 267.71 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(3S)-2-oxooxolan-3-yl]propanamide is sourced from PubChem (CID 44581184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).