N-(2-cyanophenyl)-3-phenylprop-2-ynamide

C16H10N2O — CID 6465612

IUPACN-(2-cyanophenyl)-3-phenylprop-2-ynamide
SMILESN#Cc1ccccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C16H10N2O/c17-12-14-8-4-5-9-15(14)18-16(19)11-10-13-6-2-1-3-7-13/h1-9H,(H,18,19)
InChIKeyYAAXGESBCBTLRA-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.55
Rot. Bonds1

About N-(2-cyanophenyl)-3-phenylprop-2-ynamide

N-(2-cyanophenyl)-3-phenylprop-2-ynamide (PubChem CID 6465612) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-cyanophenyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-3-phenylprop-2-ynamide
PubChem CID6465612
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC NameN-(2-cyanophenyl)-3-phenylprop-2-ynamide
SMILESN#Cc1ccccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C16H10N2O/c17-12-14-8-4-5-9-15(14)18-16(19)11-10-13-6-2-1-3-7-13/h1-9H,(H,18,19)
InChIKeyYAAXGESBCBTLRA-UHFFFAOYSA-N
XLogP2.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
N-(2-aminophenyl)-3-phenylprop-2-ynamide
CID 43600037
(2-cyanophenyl)urea
CID 13155570
N-[2-(2-cyclohexylethynyl)phenyl]-3-phenylprop-2-ynamide
CID 11290358
2-[(2-cyanophenyl)carbamoylamino]benzoic acid
CID 61189461
1-(2-cyanophenyl)-3-(2-phenylphenyl)urea
CID 102229386
1-(2-cyanophenyl)-3-(2-iodophenyl)urea
CID 108868891
3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
CID 61129572
N-(2-cyanophenyl)-2-methylsulfanylpropanamide
CID 47263046
methyl 2-(3-phenylprop-2-ynoylamino)benzoate
CID 6467561
(2R)-N-(2-cyanophenyl)-2-phenylsulfanylpropanamide
CID 2501567
3-(2-cyanophenyl)-1,1-diphenylurea
CID 3830875

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(2-cyanophenyl)-3-phenylprop-2-ynamide (CID 6465612) is N-(2-cyanophenyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(2-cyanophenyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(2-cyanophenyl)-3-phenylprop-2-ynamide is N#Cc1ccccc1NC(=O)C#Cc1ccccc1.
What is the InChIKey of N-(2-cyanophenyl)-3-phenylprop-2-ynamide?
The InChIKey is YAAXGESBCBTLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c17-12-14-8-4-5-9-15(14)18-16(19)11-10-13-6-2-1-3-7-13/h1-9H,(H,18,19).
What are the key properties of N-(2-cyanophenyl)-3-phenylprop-2-ynamide?
N-(2-cyanophenyl)-3-phenylprop-2-ynamide has a molecular weight of 246.27 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 6465612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).