2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide

C15H20ClNO3 — CID 97076066

IUPAC2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NC[C@@]1(O)CCOC1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-14(2,11-4-3-5-12(16)8-11)13(18)17-9-15(19)6-7-20-10-15/h3-5,8,19H,6-7,9-10H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyWZTXKMVYNLMVCC-HNNXBMFYSA-N
MW297.78 g/mol
LogP1.89
Rot. Bonds4

About 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide

2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide (PubChem CID 97076066) has the molecular formula C15H20ClNO3 and a molecular weight of 297.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide
PubChem CID97076066
Molecular FormulaC15H20ClNO3
Molecular Weight297.78 g/mol
Exact Mass297.11
IUPAC Name2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide
SMILESCC(C)(C(=O)NC[C@@]1(O)CCOC1)c1cccc(Cl)c1
InChIInChI=1S/C15H20ClNO3/c1-14(2,11-4-3-5-12(16)8-11)13(18)17-9-15(19)6-7-20-10-15/h3-5,8,19H,6-7,9-10H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyWZTXKMVYNLMVCC-HNNXBMFYSA-N
XLogP1.89
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.78
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2-(3-chlorophenyl)-N-(2-hydroxyethyl)-2-methylpropanamide
CID 110437674
2-(3-chlorophenyl)-2-methyl-N-propylpropanamide
CID 110437628
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
3-[[(3-chlorophenyl)methylamino]methyl]oxolan-3-ol
CID 115765990
3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 129399312
2-(3-chlorophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039515
1-(4-tert-butylphenyl)-3-[[(3R)-3-hydroxyoxolan-3-yl]methyl]urea
CID 129397882
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-3-methylbenzamide
CID 113337958
4-[[(2-methyl-2-phenylpropanoyl)amino]methyl]oxane-4-carboxylic acid
CID 120543239
1-[1-(3-chlorophenyl)ethyl]-3-[(4-hydroxyoxan-4-yl)methyl]urea
CID 110936464

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide (CID 97076066) is 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide is CC(C)(C(=O)NC[C@@]1(O)CCOC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide?
The InChIKey is WZTXKMVYNLMVCC-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20ClNO3/c1-14(2,11-4-3-5-12(16)8-11)13(18)17-9-15(19)6-7-20-10-15/h3-5,8,19H,6-7,9-10H2,1-2H3,(H,17,18)/t15-/m0/s1.
What are the key properties of 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide?
2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide has a molecular weight of 297.78 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 97076066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).