N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide

C11H13ClN2O2 — CID 61272362

IUPACN-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
SMILESNc1ccc(Cl)c(NC(=O)C2CCOC2)c1
InChIInChI=1S/C11H13ClN2O2/c12-9-2-1-8(13)5-10(9)14-11(15)7-3-4-16-6-7/h1-2,5,7H,3-4,6,13H2,(H,14,15)
InChIKeyWNHADIMQKMJXFY-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.90
Rot. Bonds2

About N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide

N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide (PubChem CID 61272362) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
PubChem CID61272362
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC NameN-(5-amino-2-chlorophenyl)oxolane-3-carboxamide
SMILESNc1ccc(Cl)c(NC(=O)C2CCOC2)c1
InChIInChI=1S/C11H13ClN2O2/c12-9-2-1-8(13)5-10(9)14-11(15)7-3-4-16-6-7/h1-2,5,7H,3-4,6,13H2,(H,14,15)
InChIKeyWNHADIMQKMJXFY-UHFFFAOYSA-N
XLogP1.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(5-acetyl-2-chlorophenyl)oxolane-3-carboxamide
CID 71969033
N-(2,3-dichlorophenyl)oxolane-3-carboxamide
CID 75921085
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]oxolane-3-carboxamide
CID 107809858
N-(2-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 103479847
N-(4-chloro-2-iodophenyl)oxolane-3-carboxamide
CID 103766842
N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126097
N-(3,5-dimethylphenyl)oxolane-3-carboxamide
CID 47443287
N-(4-amino-2,6-dibromophenyl)oxolane-3-carboxamide
CID 61272365
N-(4-amino-2-methoxyphenyl)oxane-4-carboxamide
CID 53410709
N-[5-(butanoylamino)-2-chlorophenyl]oxane-4-carboxamide
CID 75496705
N-(3-chlorophenyl)oxolane-3-carboxamide
CID 47443169
N-[4-amino-2-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 62905996

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide?
The IUPAC name of N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide (CID 61272362) is N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide?
The canonical SMILES for N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide is Nc1ccc(Cl)c(NC(=O)C2CCOC2)c1.
What is the InChIKey of N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide?
The InChIKey is WNHADIMQKMJXFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-9-2-1-8(13)5-10(9)14-11(15)7-3-4-16-6-7/h1-2,5,7H,3-4,6,13H2,(H,14,15).
What are the key properties of N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide?
N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-chlorophenyl)oxolane-3-carboxamide is sourced from PubChem (CID 61272362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).