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

C15H12N2O — CID 43600037

IUPACN-(2-aminophenyl)-3-phenylprop-2-ynamide
SMILESNc1ccccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H12N2O/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-9H,16H2,(H,17,18)
InChIKeyLMOSNHRHISCKSX-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.26
Rot. Bonds1

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

N-(2-aminophenyl)-3-phenylprop-2-ynamide (PubChem CID 43600037) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-phenylprop-2-ynamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-phenylprop-2-ynamide
PubChem CID43600037
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC NameN-(2-aminophenyl)-3-phenylprop-2-ynamide
SMILESNc1ccccc1NC(=O)C#Cc1ccccc1
InChIInChI=1S/C15H12N2O/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-9H,16H2,(H,17,18)
InChIKeyLMOSNHRHISCKSX-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)but-2-ynamide
CID 90330903
2-[2-(3-phenylprop-2-ynoylamino)phenyl]acetic acid
CID 62534943
N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfanylamino]phenyl]prop-2-ynamide
CID 142065123
3-phenyl-N-(2-sulfamoylphenyl)prop-2-ynamide
CID 61129572
N-(2-aminophenyl)-3-[4-[(4-phenylphenyl)sulfonylamino]phenyl]prop-2-ynamide
CID 10972684
N-(2-cyanophenyl)-3-phenylprop-2-ynamide
CID 6465612
methyl 2-(3-phenylprop-2-ynoylamino)benzoate
CID 6467561
N-(2-bromo-5-chlorophenyl)-3-phenylprop-2-ynamide
CID 81271695
N-(4-bromo-2-fluorophenyl)-3-phenylprop-2-ynamide
CID 43246939
1-(2-aminophenyl)-3-iodourea
CID 130470631
3-hydroxy-4-(3-phenylprop-2-ynoylamino)benzoic acid
CID 60825032
6-[(2-aminophenyl)carbamoylamino]hexanoic acid
CID 61404398

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-phenylprop-2-ynamide?
The IUPAC name of N-(2-aminophenyl)-3-phenylprop-2-ynamide (CID 43600037) is N-(2-aminophenyl)-3-phenylprop-2-ynamide.
What is the SMILES notation for N-(2-aminophenyl)-3-phenylprop-2-ynamide?
The canonical SMILES for N-(2-aminophenyl)-3-phenylprop-2-ynamide is Nc1ccccc1NC(=O)C#Cc1ccccc1.
What is the InChIKey of N-(2-aminophenyl)-3-phenylprop-2-ynamide?
The InChIKey is LMOSNHRHISCKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c16-13-8-4-5-9-14(13)17-15(18)11-10-12-6-2-1-3-7-12/h1-9H,16H2,(H,17,18).
What are the key properties of N-(2-aminophenyl)-3-phenylprop-2-ynamide?
N-(2-aminophenyl)-3-phenylprop-2-ynamide has a molecular weight of 236.27 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-3-phenylprop-2-ynamide is sourced from PubChem (CID 43600037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).