2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide

C13H17ClN2O2 — CID 63660237

IUPAC2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(N)cccc1Cl)C1CCCO1
InChIInChI=1S/C13H17ClN2O2/c1-8(11-6-3-7-18-11)16-13(17)12-9(14)4-2-5-10(12)15/h2,4-5,8,11H,3,6-7,15H2,1H3,(H,16,17)
InChIKeyMSJLZXPKSQVHCN-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.22
Rot. Bonds3

About 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide

2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide (PubChem CID 63660237) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
PubChem CID63660237
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
SMILESCC(NC(=O)c1c(N)cccc1Cl)C1CCCO1
InChIInChI=1S/C13H17ClN2O2/c1-8(11-6-3-7-18-11)16-13(17)12-9(14)4-2-5-10(12)15/h2,4-5,8,11H,3,6-7,15H2,1H3,(H,16,17)
InChIKeyMSJLZXPKSQVHCN-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-6-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 63724489
3-chloro-2-N-[1-(oxolan-2-yl)ethyl]benzene-1,2-diamine
CID 43533841
5-amino-2-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533754
5-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-2-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]thiophene-2,5-dicarboxamide
CID 98786018
1-[1-(2-chlorophenyl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 46486147
2-(2-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533746
N-[1-(oxolan-2-yl)ethyl]-4-propan-2-ylbenzamide
CID 6468560
2,3,4,5,6-pentafluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 6466404
5-amino-N-[1-(oxolan-2-yl)ethyl]pyridine-2-carboxamide
CID 81316128
3-chloro-4-iodo-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103735000
2,3-difluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62648709
4-methyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 27232652

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide (CID 63660237) is 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide is CC(NC(=O)c1c(N)cccc1Cl)C1CCCO1.
What is the InChIKey of 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is MSJLZXPKSQVHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-8(11-6-3-7-18-11)16-13(17)12-9(14)4-2-5-10(12)15/h2,4-5,8,11H,3,6-7,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide?
2-amino-6-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 2-amino-6-chloro-N-[1-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 63660237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).