N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide

C14H14ClF3N2O3 — CID 26293555

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCOC1=O
InChIInChI=1S/C14H14ClF3N2O3/c1-20(11-4-5-23-13(11)22)7-12(21)19-8-2-3-10(15)9(6-8)14(16,17)18/h2-3,6,11H,4-5,7H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyZLFZUFHTMADCDO-NSHDSACASA-N
MW350.72 g/mol
LogP2.54
Rot. Bonds4

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide (PubChem CID 26293555) has the molecular formula C14H14ClF3N2O3 and a molecular weight of 350.72 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide
PubChem CID26293555
Molecular FormulaC14H14ClF3N2O3
Molecular Weight350.72 g/mol
Exact Mass350.06
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCOC1=O
InChIInChI=1S/C14H14ClF3N2O3/c1-20(11-4-5-23-13(11)22)7-12(21)19-8-2-3-10(15)9(6-8)14(16,17)18/h2-3,6,11H,4-5,7H2,1H3,(H,19,21)/t11-/m0/s1
InChIKeyZLFZUFHTMADCDO-NSHDSACASA-N
XLogP2.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.72
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 2404080
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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyclohex-2-en-1-yl(methyl)amino]acetamide
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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-(2-oxooxolan-3-yl)piperazin-1-yl]acetamide
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N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 8711413
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide
CID 119683149
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 9333443
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methylmorpholine-3-carboxamide;hydrochloride
CID 119683148
2-[(2-amino-2-methylpropyl)-methylamino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 120847415
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[cyanomethyl(methyl)amino]acetamide
CID 38353746
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-3-cyclohexyl-N-methylpropanamide
CID 18229226
N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide (CID 26293555) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide is CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCOC1=O.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide?
The InChIKey is ZLFZUFHTMADCDO-NSHDSACASA-N. The full InChI is InChI=1S/C14H14ClF3N2O3/c1-20(11-4-5-23-13(11)22)7-12(21)19-8-2-3-10(15)9(6-8)14(16,17)18/h2-3,6,11H,4-5,7H2,1H3,(H,19,21)/t11-/m0/s1.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide has a molecular weight of 350.72 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(3S)-2-oxooxolan-3-yl]amino]acetamide is sourced from PubChem (CID 26293555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).