4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide

C16H19ClN2O2 — CID 81293317

IUPAC4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESNCC#Cc1ccc(C(=O)NCCC2CCCO2)cc1Cl
InChIInChI=1S/C16H19ClN2O2/c17-15-11-13(6-5-12(15)3-1-8-18)16(20)19-9-7-14-4-2-10-21-14/h5-6,11,14H,2,4,7-10,18H2,(H,19,20)
InChIKeyOOJODIAZCFUCCA-UHFFFAOYSA-N
MW306.79 g/mol
LogP1.95
Rot. Bonds4

About 4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide

4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide (PubChem CID 81293317) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
PubChem CID81293317
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide
SMILESNCC#Cc1ccc(C(=O)NCCC2CCCO2)cc1Cl
InChIInChI=1S/C16H19ClN2O2/c17-15-11-13(6-5-12(15)3-1-8-18)16(20)19-9-7-14-4-2-10-21-14/h5-6,11,14H,2,4,7-10,18H2,(H,19,20)
InChIKeyOOJODIAZCFUCCA-UHFFFAOYSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-aminoprop-1-ynyl)-N-[2-(carbamoylamino)ethyl]-3-chlorobenzamide
CID 83114954
2-(3-aminoprop-1-ynyl)-N-[2-(oxan-2-yl)ethyl]benzamide
CID 106000492
4-(3-aminoprop-1-ynyl)-3-chloro-N-(oxolan-3-yl)benzamide
CID 81308398
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
2-chloro-5-[2-(oxolan-2-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 65370822
4-(3-aminoprop-1-ynyl)-3-chloro-N-(4,4,4-trifluorobutyl)benzamide
CID 115521801
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
4-(3-aminoprop-1-ynyl)-3-chloro-N-[(3-methylcyclopentyl)methyl]benzamide
CID 107414997
3-(3-aminoprop-1-ynyl)-N-(2-cyclopropylethyl)-4-methylbenzamide
CID 81475974
4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzamide
CID 106432507
4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-[ethyl(methyl)amino]ethyl]benzamide
CID 81295607
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The IUPAC name of 4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide (CID 81293317) is 4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide is NCC#Cc1ccc(C(=O)NCCC2CCCO2)cc1Cl.
What is the InChIKey of 4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide?
The InChIKey is OOJODIAZCFUCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-15-11-13(6-5-12(15)3-1-8-18)16(20)19-9-7-14-4-2-10-21-14/h5-6,11,14H,2,4,7-10,18H2,(H,19,20).
What are the key properties of 4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide?
4-(3-aminoprop-1-ynyl)-3-chloro-N-[2-(oxolan-2-yl)ethyl]benzamide has a molecular weight of 306.79 g/mol, XLogP of 1.95, 4 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-[2-(oxolan-2-yl)ethyl]benzamide is sourced from PubChem (CID 81293317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).