2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide

C20H14N2O — CID 685348

IUPAC2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
SMILESN#CC(=Cc1cccc2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C20H14N2O/c21-14-17(20(23)22-18-10-2-1-3-11-18)13-16-9-6-8-15-7-4-5-12-19(15)16/h1-13H,(H,22,23)
InChIKeyUTAOIGRJQJBHKV-UHFFFAOYSA-N
MW298.35 g/mol
LogP4.39
Rot. Bonds3

About 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide

2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide (PubChem CID 685348) has the molecular formula C20H14N2O and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
PubChem CID685348
Molecular FormulaC20H14N2O
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
SMILESN#CC(=Cc1cccc2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C20H14N2O/c21-14-17(20(23)22-18-10-2-1-3-11-18)13-16-9-6-8-15-7-4-5-12-19(15)16/h1-13H,(H,22,23)
InChIKeyUTAOIGRJQJBHKV-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[(E)-2-cyano-3-naphthalen-1-ylprop-2-enoyl]amino]benzoate
CID 2094943
2-cyano-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-naphthalen-1-ylprop-2-enamide
CID 3730795
(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6251517
(Z)-2-cyano-3-(2-ethoxy-3-methoxyphenyl)-N-phenylprop-2-enamide
CID 19183626
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 7912054
2-cyano-N-(2,5-dimethylphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 3489299
(E)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-naphthalen-1-ylprop-2-enamide
CID 6308958
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247
3-[[(Z)-2-cyano-3-[2-(naphthalene-1-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid
CID 2467233
3-[[(E)-2-cyano-3-[2-(naphthalene-1-carbonyloxy)phenyl]prop-2-enoyl]amino]benzoic acid
CID 2467231
(2S)-2-[2-[(Z)-3-anilino-2-cyano-3-oxoprop-1-enyl]-6-methoxyphenoxy]propanoic acid
CID 126245384
2-[3-(3-anilino-2-cyano-3-oxoprop-1-enyl)-7-methylindol-1-yl]acetic acid
CID 67273808

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide?
The IUPAC name of 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide (CID 685348) is 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide?
The canonical SMILES for 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide is N#CC(=Cc1cccc2ccccc12)C(=O)Nc1ccccc1.
What is the InChIKey of 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide?
The InChIKey is UTAOIGRJQJBHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O/c21-14-17(20(23)22-18-10-2-1-3-11-18)13-16-9-6-8-15-7-4-5-12-19(15)16/h1-13H,(H,22,23).
What are the key properties of 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide?
2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide has a molecular weight of 298.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide is sourced from PubChem (CID 685348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).