(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide

C11H11ClN2O4 — CID 7306357

IUPAC(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1
InChIInChI=1S/C11H11ClN2O4/c12-8-6-7(14(16)17)3-4-9(8)13-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,13,15)/t10-/m0/s1
InChIKeyVCSKHPYWQZSVEA-JTQLQIEISA-N
MW270.67 g/mol
LogP2.37
Rot. Bonds3

About (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide

(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide (PubChem CID 7306357) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
PubChem CID7306357
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1
InChIInChI=1S/C11H11ClN2O4/c12-8-6-7(14(16)17)3-4-9(8)13-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,13,15)/t10-/m0/s1
InChIKeyVCSKHPYWQZSVEA-JTQLQIEISA-N
XLogP2.37
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
CID 107745486
N-[4-[(2-chloro-5-nitrobenzoyl)amino]-3-(trifluoromethyl)phenyl]oxolane-2-carboxamide
CID 55781980
(2S)-N-(2-chloro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 61180184
3-chloro-4-(oxane-2-carbonylamino)benzenesulfonyl chloride
CID 62212788
1-(2-chloro-4-nitrophenyl)-3-cyclopropylurea
CID 47196003
(2R)-N-(4-chloro-2-cyanophenyl)oxolane-2-carboxamide
CID 126837214
N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
(3R)-N-(2-chloro-4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 7464009
(2S)-N-[4-nitro-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7409203
(2R)-N-(2,5-dichlorophenyl)oxolane-2-carboxamide
CID 1086830
N-[4-[(2-aminoacetyl)amino]-2-chlorophenyl]oxolane-2-carboxamide
CID 82034974

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide (CID 7306357) is (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide?
The InChIKey is VCSKHPYWQZSVEA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11ClN2O4/c12-8-6-7(14(16)17)3-4-9(8)13-11(15)10-2-1-5-18-10/h3-4,6,10H,1-2,5H2,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide?
(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide has a molecular weight of 270.67 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 7306357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).