N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide

C20H14N2O — CID 681397

IUPACN-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESN#Cc1cccc(NC(=O)C=Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H14N2O/c21-14-15-5-3-9-18(13-15)22-20(23)12-11-17-8-4-7-16-6-1-2-10-19(16)17/h1-13H,(H,22,23)
InChIKeyBVJFDEPYRMFHTD-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.36
Rot. Bonds3

About N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide

N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 681397) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID681397
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC NameN-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESN#Cc1cccc(NC(=O)C=Cc2cccc3ccccc23)c1
InChIInChI=1S/C20H14N2O/c21-14-15-5-3-9-18(13-15)22-20(23)12-11-17-8-4-7-16-6-1-2-10-19(16)17/h1-13H,(H,22,23)
InChIKeyBVJFDEPYRMFHTD-UHFFFAOYSA-N
XLogP4.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3-cyanophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2707623
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 36824939
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
N-(3-cyanophenyl)but-2-enamide
CID 72539251
(E)-3-(2-chlorophenyl)-N-[(3-cyanophenyl)carbamothioyl]prop-2-enamide
CID 926921
3-naphthalen-1-yl-N-[2-(3-naphthalen-1-ylprop-2-enoylamino)phenyl]prop-2-enamide
CID 4233655
(Z)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 92949912
(E)-N-(3-chloro-4-methylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6239949
N-(4-methoxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 680988
3-naphthalen-1-yl-N-(4-phenyldiazenylphenyl)prop-2-enamide
CID 5177921
N-(3-cyanophenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4987366
3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide (CID 681397) is N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide is N#Cc1cccc(NC(=O)C=Cc2cccc3ccccc23)c1.
What is the InChIKey of N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is BVJFDEPYRMFHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c21-14-15-5-3-9-18(13-15)22-20(23)12-11-17-8-4-7-16-6-1-2-10-19(16)17/h1-13H,(H,22,23).
What are the key properties of N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide?
N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 298.35 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 681397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).