(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide

C19H17F3N2O4 — CID 32979083

IUPAC(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C19H17F3N2O4/c20-19(21,22)28-15-7-2-6-14(11-15)23-17(25)12-4-1-5-13(10-12)24-18(26)16-8-3-9-27-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,23,25)(H,24,26)/t16-/m1/s1
InChIKeyMXVWMEOTVAQVBM-MRXNPFEDSA-N
MW394.35 g/mol
LogP3.95
Rot. Bonds5

About (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 32979083) has the molecular formula C19H17F3N2O4 and a molecular weight of 394.35 g/mol. Its IUPAC name is (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID32979083
Molecular FormulaC19H17F3N2O4
Molecular Weight394.35 g/mol
Exact Mass394.11
IUPAC Name(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1
InChIInChI=1S/C19H17F3N2O4/c20-19(21,22)28-15-7-2-6-14(11-15)23-17(25)12-4-1-5-13(10-12)24-18(26)16-8-3-9-27-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,23,25)(H,24,26)/t16-/m1/s1
InChIKeyMXVWMEOTVAQVBM-MRXNPFEDSA-N
XLogP3.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
3-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]carbamoyl]benzoic acid
CID 2231825
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[[5-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-thiazol-2-yl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 46540899
N-[4-(trifluoromethoxy)phenyl]oxolane-2-carboxamide
CID 4878412
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-[3-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55655729
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[(3-ethynylphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42884379
cyclooctyl 3-[[(2S)-oxolane-2-carbonyl]amino]benzoate
CID 97011530

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 32979083) is (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(OC(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CCCO2)c1.
What is the InChIKey of (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is MXVWMEOTVAQVBM-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17F3N2O4/c20-19(21,22)28-15-7-2-6-14(11-15)23-17(25)12-4-1-5-13(10-12)24-18(26)16-8-3-9-27-16/h1-2,4-7,10-11,16H,3,8-9H2,(H,23,25)(H,24,26)/t16-/m1/s1.
What are the key properties of (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 394.35 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 32979083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).