4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide

C14H15ClN2O2 — CID 81308398

IUPAC4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide
SMILESNCC#Cc1ccc(C(=O)NC2CCOC2)cc1Cl
InChIInChI=1S/C14H15ClN2O2/c15-13-8-11(4-3-10(13)2-1-6-16)14(18)17-12-5-7-19-9-12/h3-4,8,12H,5-7,9,16H2,(H,17,18)
InChIKeyJLVJKHYAPJWYRX-UHFFFAOYSA-N
MW278.74 g/mol
LogP1.17
Rot. Bonds2

About 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide

4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide (PubChem CID 81308398) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide
PubChem CID81308398
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide
SMILESNCC#Cc1ccc(C(=O)NC2CCOC2)cc1Cl
InChIInChI=1S/C14H15ClN2O2/c15-13-8-11(4-3-10(13)2-1-6-16)14(18)17-12-5-7-19-9-12/h3-4,8,12H,5-7,9,16H2,(H,17,18)
InChIKeyJLVJKHYAPJWYRX-UHFFFAOYSA-N
XLogP1.17
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminoprop-1-ynyl)-5-methyl-N-(oxolan-3-yl)benzamide
CID 81111848
4-(3-aminoprop-1-ynyl)-N-(2-bicyclo[2.2.1]heptanyl)-3-chlorobenzamide
CID 81293727
4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 81293317
3-fluoro-4-(4-hydroxybut-1-ynyl)-N-(oxolan-3-yl)benzamide
CID 80712752
4-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-3-chlorobenzamide
CID 83114954
4-chloro-N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80715003
1-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-3-(oxolan-3-yl)urea
CID 104781003
4-(3-aminoprop-1-ynyl)-3-chloro-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414997
3-chloro-4-(3-hydroxyprop-1-ynyl)-N-(3-methylcyclopentyl)benzamide
CID 114550639
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
4-(3-aminoprop-1-ynyl)-3-chloro-N-(5-methylhexan-2-yl)benzamide
CID 81294052
4-(3-aminoprop-1-ynyl)-3-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 115521801

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide (CID 81308398) is 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide is NCC#Cc1ccc(C(=O)NC2CCOC2)cc1Cl.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide?
The InChIKey is JLVJKHYAPJWYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-13-8-11(4-3-10(13)2-1-6-16)14(18)17-12-5-7-19-9-12/h3-4,8,12H,5-7,9,16H2,(H,17,18).
What are the key properties of 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide?
4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide has a molecular weight of 278.74 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 81308398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).