(2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide

C15H16F4N2O3 — CID 95296980

IUPAC(2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H16F4N2O3/c1-8-10(16)5-9(13(22)20-7-15(17,18)19)6-11(8)21-14(23)12-3-2-4-24-12/h5-6,12H,2-4,7H2,1H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyNWRZCSJPGKZNSC-LBPRGKRZSA-N
MW348.30 g/mol
LogP2.54
Rot. Bonds4

About (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide

(2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide (PubChem CID 95296980) has the molecular formula C15H16F4N2O3 and a molecular weight of 348.30 g/mol. Its IUPAC name is (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide
PubChem CID95296980
Molecular FormulaC15H16F4N2O3
Molecular Weight348.30 g/mol
Exact Mass348.11
IUPAC Name(2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide
SMILESCc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]1CCCO1
InChIInChI=1S/C15H16F4N2O3/c1-8-10(16)5-9(13(22)20-7-15(17,18)19)6-11(8)21-14(23)12-3-2-4-24-12/h5-6,12H,2-4,7H2,1H3,(H,20,22)(H,21,23)/t12-/m0/s1
InChIKeyNWRZCSJPGKZNSC-LBPRGKRZSA-N
XLogP2.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,2,2-trifluoroethyl)oxolane-2-carboxamide
CID 130652642
3-fluoro-4-methyl-5-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 71975573
4-fluoro-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855570
3-fluoro-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51107017
N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 60621386
(2S)-N-[4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7926588
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
N-(5-bromo-2-fluorophenyl)oxolane-2-carboxamide
CID 110779487
3-methyl-4-(oxolane-2-carbonylamino)benzoic acid
CID 16774236
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
2-methyl-3-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 7248012
N-(2,2-dimethylpropyl)oxolane-2-carboxamide
CID 21060492

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide (CID 95296980) is (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide is Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide?
The InChIKey is NWRZCSJPGKZNSC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16F4N2O3/c1-8-10(16)5-9(13(22)20-7-15(17,18)19)6-11(8)21-14(23)12-3-2-4-24-12/h5-6,12H,2-4,7H2,1H3,(H,20,22)(H,21,23)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide?
(2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide has a molecular weight of 348.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-fluoro-2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 95296980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).