4-(4-chlorophenyl)but-3-ynamide

C10H8ClNO — CID 170472446

IUPAC4-(4-chlorophenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,3H2,(H2,12,13)
InChIKeyAPIJEPTUAORWJP-UHFFFAOYSA-N
MW193.63 g/mol
LogP1.57
Rot. Bonds1

About 4-(4-chlorophenyl)but-3-ynamide

4-(4-chlorophenyl)but-3-ynamide (PubChem CID 170472446) has the molecular formula C10H8ClNO and a molecular weight of 193.63 g/mol. Its IUPAC name is 4-(4-chlorophenyl)but-3-ynamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)but-3-ynamide
PubChem CID170472446
Molecular FormulaC10H8ClNO
Molecular Weight193.63 g/mol
Exact Mass193.03
IUPAC Name4-(4-chlorophenyl)but-3-ynamide
SMILESNC(=O)CC#Cc1ccc(Cl)cc1
InChIInChI=1S/C10H8ClNO/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,3H2,(H2,12,13)
InChIKeyAPIJEPTUAORWJP-UHFFFAOYSA-N
XLogP1.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-3,5-difluorophenyl)but-3-ynamide
CID 170472850
4-[4-(cyanomethyl)phenyl]but-3-ynamide
CID 170473077
4-(2,4-dichlorophenyl)but-3-ynamide
CID 170472586
4-[4-(4-aminophenoxy)phenyl]but-3-ynamide
CID 170474044
4-[4-(methoxymethyl)phenyl]but-3-ynamide
CID 170472949
4-[4-[(E)-3-oxoprop-1-enyl]phenyl]but-3-ynamide
CID 170473357
4-(2-chloroquinolin-6-yl)but-3-ynamide
CID 170473790
3-(4-chlorophenyl)prop-2-yn-1-amine;hydrochloride
CID 155294566
4-(4-chlorophenyl)but-3-yn-1-amine
CID 116641356
4-(4-piperazin-1-ylphenyl)but-3-ynamide
CID 170473841
4-(4-amino-3-bromophenyl)but-3-ynamide
CID 170474119
4-[3-[(4-chlorobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549768

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)but-3-ynamide?
The IUPAC name of 4-(4-chlorophenyl)but-3-ynamide (CID 170472446) is 4-(4-chlorophenyl)but-3-ynamide.
What is the SMILES notation for 4-(4-chlorophenyl)but-3-ynamide?
The canonical SMILES for 4-(4-chlorophenyl)but-3-ynamide is NC(=O)CC#Cc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)but-3-ynamide?
The InChIKey is APIJEPTUAORWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO/c11-9-6-4-8(5-7-9)2-1-3-10(12)13/h4-7H,3H2,(H2,12,13).
What are the key properties of 4-(4-chlorophenyl)but-3-ynamide?
4-(4-chlorophenyl)but-3-ynamide has a molecular weight of 193.63 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)but-3-ynamide is sourced from PubChem (CID 170472446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).