(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide

C12H12ClF2NO3 — CID 8696477

IUPAC(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCO1
InChIInChI=1S/C12H12ClF2NO3/c13-8-6-7(3-4-9(8)19-12(14)15)16-11(17)10-2-1-5-18-10/h3-4,6,10,12H,1-2,5H2,(H,16,17)/t10-/m0/s1
InChIKeyQYWNZAVYSSGGEJ-JTQLQIEISA-N
MW291.68 g/mol
LogP3.06
Rot. Bonds4

About (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide

(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide (PubChem CID 8696477) has the molecular formula C12H12ClF2NO3 and a molecular weight of 291.68 g/mol. Its IUPAC name is (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide
PubChem CID8696477
Molecular FormulaC12H12ClF2NO3
Molecular Weight291.68 g/mol
Exact Mass291.05
IUPAC Name(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCO1
InChIInChI=1S/C12H12ClF2NO3/c13-8-6-7(3-4-9(8)19-12(14)15)16-11(17)10-2-1-5-18-10/h3-4,6,10,12H,1-2,5H2,(H,16,17)/t10-/m0/s1
InChIKeyQYWNZAVYSSGGEJ-JTQLQIEISA-N
XLogP3.06
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.68
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide (CID 8696477) is (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide?
The InChIKey is QYWNZAVYSSGGEJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12ClF2NO3/c13-8-6-7(3-4-9(8)19-12(14)15)16-11(17)10-2-1-5-18-10/h3-4,6,10,12H,1-2,5H2,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide?
(2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide has a molecular weight of 291.68 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 8696477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).