2-amino-4-chloro-N-(oxolan-3-yl)benzamide

C11H13ClN2O2 — CID 80717146

IUPAC2-amino-4-chloro-N-(oxolan-3-yl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NC1CCOC1
InChIInChI=1S/C11H13ClN2O2/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-16-6-8/h1-2,5,8H,3-4,6,13H2,(H,14,15)
InChIKeyZEZUYJPMVCFCMR-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.44
Rot. Bonds2

About 2-amino-4-chloro-N-(oxolan-3-yl)benzamide

2-amino-4-chloro-N-(oxolan-3-yl)benzamide (PubChem CID 80717146) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(oxolan-3-yl)benzamide
PubChem CID80717146
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name2-amino-4-chloro-N-(oxolan-3-yl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NC1CCOC1
InChIInChI=1S/C11H13ClN2O2/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-16-6-8/h1-2,5,8H,3-4,6,13H2,(H,14,15)
InChIKeyZEZUYJPMVCFCMR-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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

2-amino-4,5-dimethoxy-N-(oxolan-3-yl)benzamide
CID 80716754
2-amino-4-chloro-N-(3,5-dimethylcyclohexyl)benzamide
CID 64734584
2-amino-4-chloro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 54949515
2-amino-4-chloro-N-(2-oxooxolan-3-yl)benzamide
CID 43822721
3-amino-2,5-difluoro-N-(oxolan-3-yl)benzamide
CID 107121271
4-chloro-2-(oxolan-3-ylamino)benzoic acid
CID 80716241
2-amino-4-chloro-N-[(1S,3S)-3-methylcyclohexyl]benzamide
CID 28690168
4-bromo-2-fluoro-N-(oxolan-3-yl)benzamide
CID 80713377
oxolan-3-yl 2-amino-4-chlorobenzoate
CID 63557456
2-amino-4-methoxy-N-(oxan-4-yl)benzamide
CID 89025989
6-chloro-2-methyl-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 168678063
2-amino-4-chloro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 63110103

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(oxolan-3-yl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(oxolan-3-yl)benzamide (CID 80717146) is 2-amino-4-chloro-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(oxolan-3-yl)benzamide is Nc1cc(Cl)ccc1C(=O)NC1CCOC1.
What is the InChIKey of 2-amino-4-chloro-N-(oxolan-3-yl)benzamide?
The InChIKey is ZEZUYJPMVCFCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c12-7-1-2-9(10(13)5-7)11(15)14-8-3-4-16-6-8/h1-2,5,8H,3-4,6,13H2,(H,14,15).
What are the key properties of 2-amino-4-chloro-N-(oxolan-3-yl)benzamide?
2-amino-4-chloro-N-(oxolan-3-yl)benzamide has a molecular weight of 240.69 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-chloro-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 80717146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).