(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide

C12H11ClN2O2 — CID 900578

IUPAC(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C12H11ClN2O2/c13-10-6-9(4-3-8(10)7-14)15-12(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5H2,(H,15,16)/t11-/m1/s1
InChIKeyWISKMXRBQKYCFA-LLVKDONJSA-N
MW250.68 g/mol
LogP2.33
Rot. Bonds2

About (2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide

(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide (PubChem CID 900578) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.68 g/mol. Its IUPAC name is (2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
PubChem CID900578
Molecular FormulaC12H11ClN2O2
Molecular Weight250.68 g/mol
Exact Mass250.05
IUPAC Name(2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide
SMILESN#Cc1ccc(NC(=O)[C@H]2CCCO2)cc1Cl
InChIInChI=1S/C12H11ClN2O2/c13-10-6-9(4-3-8(10)7-14)15-12(16)11-2-1-5-17-11/h3-4,6,11H,1-2,5H2,(H,15,16)/t11-/m1/s1
InChIKeyWISKMXRBQKYCFA-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

2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
N-(4-bromo-3-chlorophenyl)oxane-2-carboxamide
CID 103824509
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
2-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43402252
4-[(3-chloro-4-cyanophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 63782603
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[4-(2-cyanoanilino)phenyl]oxolane-2-carboxamide
CID 112989824
(2S)-N-(3-cyanothiophen-2-yl)oxolane-2-carboxamide
CID 41427173
(2R)-N-(2-chloro-4-pyridinyl)oxolane-2-carboxamide
CID 129370669
(2S)-N-[4-nitro-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7409203
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
CID 82034974
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide (CID 900578) is (2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide is N#Cc1ccc(NC(=O)[C@H]2CCCO2)cc1Cl.
What is the InChIKey of (2R)-N-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide?
The InChIKey is WISKMXRBQKYCFA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-10-6-9(4-3-8(10)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-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide?
(2R)-N-(3-chloro-4-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-(3-chloro-4-cyanophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 900578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).