(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide

C12H11ClN2O2 — CID 126837214

IUPAC(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
SMILESN#Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C12H11ClN2O2/c13-9-3-4-10(8(6-9)7-14)15-12(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5H2,(H,15,16)/t11-/m1/s1
InChIKeyRHGRTHNABKOWEJ-LLVKDONJSA-N
MW250.68 g/mol
LogP2.33
Rot. Bonds2

About (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide

(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide (PubChem CID 126837214) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.68 g/mol. Its IUPAC name is (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
PubChem CID126837214
Molecular FormulaC12H11ClN2O2
Molecular Weight250.68 g/mol
Exact Mass250.05
IUPAC Name(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
SMILESN#Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCO1
InChIInChI=1S/C12H11ClN2O2/c13-9-3-4-10(8(6-9)7-14)15-12(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5H2,(H,15,16)/t11-/m1/s1
InChIKeyRHGRTHNABKOWEJ-LLVKDONJSA-N
XLogP2.33
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-2-(4-hydroxybut-1-ynyl)phenyl]oxolane-2-carboxamide
CID 81264318
N-(4-chloro-2-methylphenyl)oxolane-2-carboxamide
CID 42906730
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-(2-bromo-5-chlorophenyl)oxolane-2-carboxamide
CID 81272173
(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
CID 900578
N-(2-bromo-4-cyanophenyl)oxolane-2-carboxamide
CID 113231348
(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
CID 7306357
N-(2-cyano-3-fluorophenyl)oxolane-2-carboxamide
CID 43580330
5-[(5-chloro-2-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687943
N-(2-cyano-4-fluorophenyl)-1,4-dioxane-2-carboxamide
CID 79954692
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide (CID 126837214) is (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide is N#Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide?
The InChIKey is RHGRTHNABKOWEJ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-9-3-4-10(8(6-9)7-14)15-12(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide?
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide has a molecular weight of 250.68 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 126837214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).