3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide

C13H13ClF3NO3 — CID 129399312

IUPAC3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@]1(O)CCOC1)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13ClF3NO3/c14-10-4-8(3-9(5-10)13(15,16)17)11(19)18-6-12(20)1-2-21-7-12/h3-5,20H,1-2,6-7H2,(H,18,19)/t12-/m0/s1
InChIKeyWNXBSGIMGCGLTG-LBPRGKRZSA-N
MW323.70 g/mol
LogP2.24
Rot. Bonds3

About 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide

3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide (PubChem CID 129399312) has the molecular formula C13H13ClF3NO3 and a molecular weight of 323.70 g/mol. Its IUPAC name is 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide
PubChem CID129399312
Molecular FormulaC13H13ClF3NO3
Molecular Weight323.70 g/mol
Exact Mass323.05
IUPAC Name3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NC[C@@]1(O)CCOC1)c1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C13H13ClF3NO3/c14-10-4-8(3-9(5-10)13(15,16)17)11(19)18-6-12(20)1-2-21-7-12/h3-5,20H,1-2,6-7H2,(H,18,19)/t12-/m0/s1
InChIKeyWNXBSGIMGCGLTG-LBPRGKRZSA-N
XLogP2.24
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099030
2,5-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848688
2-chloro-4,5-difluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103848658
2-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 106102857
5-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylbenzamide
CID 113337983
5-bromo-N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 84590622
N-[(3-hydroxyoxolan-3-yl)methyl]naphthalene-2-carboxamide
CID 103848682
4-amino-3-fluoro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 106099036
N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 129397923
2-(3-chlorophenyl)-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-2-methylpropanamide
CID 97076066
4-amino-3,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 82833099
N-[(3-hydroxyoxolan-3-yl)methyl]furan-3-carboxamide
CID 103848998

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide (CID 129399312) is 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide is O=C(NC[C@@]1(O)CCOC1)c1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is WNXBSGIMGCGLTG-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13ClF3NO3/c14-10-4-8(3-9(5-10)13(15,16)17)11(19)18-6-12(20)1-2-21-7-12/h3-5,20H,1-2,6-7H2,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide?
3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 323.70 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(3S)-3-hydroxyoxolan-3-yl]methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 129399312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).