5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide

C13H17ClN2O2 — CID 43533754

IUPAC5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(N)ccc1Cl)C1CCCO1
InChIInChI=1S/C13H17ClN2O2/c1-8(12-3-2-6-18-12)16-13(17)10-7-9(15)4-5-11(10)14/h4-5,7-8,12H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyITNFFHJJLZNYHA-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.22
Rot. Bonds3

About 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide

5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide (PubChem CID 43533754) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
PubChem CID43533754
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1cc(N)ccc1Cl)C1CCCO1
InChIInChI=1S/C13H17ClN2O2/c1-8(12-3-2-6-18-12)16-13(17)10-7-9(15)4-5-11(10)14/h4-5,7-8,12H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyITNFFHJJLZNYHA-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.22
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-chloro-N-[1-(oxolan-2-yl)ethyl]-5-sulfamoylbenzamide
CID 60966372
5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316128
4-chloro-3-methylsulfonyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 35230890
2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 63660237
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431
methyl 5-amino-2-[1-(oxolan-2-yl)ethylamino]benzoate
CID 61305536
2-(3,4-dichlorophenyl)-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]acetamide
CID 29038254
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
5-amino-2-bromo-4-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62816463

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide (CID 43533754) is 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide is CC(NC(=O)c1cc(N)ccc1Cl)C1CCCO1.
What is the InChIKey of 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is ITNFFHJJLZNYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(12-3-2-6-18-12)16-13(17)10-7-9(15)4-5-11(10)14/h4-5,7-8,12H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide?
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 268.74 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 43533754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).