4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide

C11H12ClN3O4 — CID 66241218

IUPAC4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c12-6-1-2-9(10(3-6)15(17)18)14-11(16)7-4-19-5-8(7)13/h1-3,7-8H,4-5,13H2,(H,14,16)
InChIKeyLDVSUXUBMIXRHN-UHFFFAOYSA-N
MW285.69 g/mol
LogP1.16
Rot. Bonds3

About 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide

4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide (PubChem CID 66241218) has the molecular formula C11H12ClN3O4 and a molecular weight of 285.69 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide
PubChem CID66241218
Molecular FormulaC11H12ClN3O4
Molecular Weight285.69 g/mol
Exact Mass285.05
IUPAC Name4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C11H12ClN3O4/c12-6-1-2-9(10(3-6)15(17)18)14-11(16)7-4-19-5-8(7)13/h1-3,7-8H,4-5,13H2,(H,14,16)
InChIKeyLDVSUXUBMIXRHN-UHFFFAOYSA-N
XLogP1.16
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-amino-N-(4-methyl-2-nitrophenyl)oxolane-3-carboxamide
CID 66239839
2-[(4-aminooxolane-3-carbonyl)amino]-4-chlorobenzoic acid
CID 66237669
4-amino-N-(2-methyl-4-nitrophenyl)oxolane-3-carboxamide
CID 66240231
4-[(4-aminooxolane-3-carbonyl)amino]-3-chlorobenzoic acid
CID 66238111
3-[(4-chloro-2-nitrophenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64837492
N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364
(2R)-N-(4-chloro-2-nitrophenyl)pyrrolidine-2-carboxamide
CID 104900585
4-amino-N-(2-chloro-5-sulfamoylphenyl)oxolane-3-carboxamide
CID 66239243
1-amino-N-(4-chloro-2-nitrophenyl)cyclobutane-1-carboxamide
CID 81178795
(4S)-N-(4-chloro-2-nitrophenyl)-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 7381271
N-(4-chloro-2-nitrophenyl)-2-oxobutanamide
CID 54214320
1-tert-butyl-3-(4-chloro-2-nitrophenyl)urea
CID 113218543

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide (CID 66241218) is 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide is NC1COCC1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide?
The InChIKey is LDVSUXUBMIXRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O4/c12-6-1-2-9(10(3-6)15(17)18)14-11(16)7-4-19-5-8(7)13/h1-3,7-8H,4-5,13H2,(H,14,16).
What are the key properties of 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide?
4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide has a molecular weight of 285.69 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-2-nitrophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 66241218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).