(2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide

C21H22F2N2O4 — CID 39991424

IUPAC(2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H22F2N2O4/c1-13(14-7-9-17(10-8-14)29-21(22)23)24-19(26)15-4-2-5-16(12-15)25-20(27)18-6-3-11-28-18/h2,4-5,7-10,12-13,18,21H,3,6,11H2,1H3,(H,24,26)(H,25,27)/t13-,18-/m0/s1
InChIKeyCKZJMYZVRILZHG-UGSOOPFHSA-N
MW404.41 g/mol
LogP3.90
Rot. Bonds7

About (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide

(2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 39991424) has the molecular formula C21H22F2N2O4 and a molecular weight of 404.41 g/mol. Its IUPAC name is (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID39991424
Molecular FormulaC21H22F2N2O4
Molecular Weight404.41 g/mol
Exact Mass404.15
IUPAC Name(2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide
SMILESC[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C21H22F2N2O4/c1-13(14-7-9-17(10-8-14)29-21(22)23)24-19(26)15-4-2-5-16(12-15)25-20(27)18-6-3-11-28-18/h2,4-5,7-10,12-13,18,21H,3,6,11H2,1H3,(H,24,26)(H,25,27)/t13-,18-/m0/s1
InChIKeyCKZJMYZVRILZHG-UGSOOPFHSA-N
XLogP3.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[3-[1-(4-propan-2-yloxyphenyl)ethylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55793270
(2R)-N-[3-[[3-(trifluoromethoxy)phenyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 32979083
N-[3-[[2-amino-2-(4-propan-2-ylphenyl)ethyl]carbamoyl]phenyl]oxolane-2-carboxamide;hydrochloride
CID 119527172
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[1-(3-acetamidophenyl)ethyl]oxolane-2-carboxamide
CID 46580355
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
(2R)-N-[3-[[(1R)-1-(4-fluorophenyl)ethyl]-methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 32800330
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide (CID 39991424) is (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide is C[C@H](NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1)c1ccc(OC(F)F)cc1.
What is the InChIKey of (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is CKZJMYZVRILZHG-UGSOOPFHSA-N. The full InChI is InChI=1S/C21H22F2N2O4/c1-13(14-7-9-17(10-8-14)29-21(22)23)24-19(26)15-4-2-5-16(12-15)25-20(27)18-6-3-11-28-18/h2,4-5,7-10,12-13,18,21H,3,6,11H2,1H3,(H,24,26)(H,25,27)/t13-,18-/m0/s1.
What are the key properties of (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide?
(2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 404.41 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-[[(1S)-1-[4-(difluoromethoxy)phenyl]ethyl]carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 39991424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).