(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide

C20H12Cl2N2O — CID 6251517

IUPAC(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESN#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H12Cl2N2O/c21-17-9-4-10-18(19(17)22)24-20(25)15(12-23)11-14-7-3-6-13-5-1-2-8-16(13)14/h1-11H,(H,24,25)/b15-11+
InChIKeyQAKILANCMVSRNP-RVDMUPIBSA-N
MW367.24 g/mol
LogP5.69
Rot. Bonds3

About (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide

(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide (PubChem CID 6251517) has the molecular formula C20H12Cl2N2O and a molecular weight of 367.24 g/mol. Its IUPAC name is (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide
PubChem CID6251517
Molecular FormulaC20H12Cl2N2O
Molecular Weight367.24 g/mol
Exact Mass366.03
IUPAC Name(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide
SMILESN#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C20H12Cl2N2O/c21-17-9-4-10-18(19(17)22)24-20(25)15(12-23)11-14-7-3-6-13-5-1-2-8-16(13)14/h1-11H,(H,24,25)/b15-11+
InChIKeyQAKILANCMVSRNP-RVDMUPIBSA-N
XLogP5.69
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.24
LogP ≤ 55.69
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

2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
CID 685348
(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
(Z)-N-(2-chlorophenyl)-2-cyano-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108824467
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825051
(E)-2-cyano-N-naphthalen-1-yl-3-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 7967270
3-(2-chlorophenyl)-2-cyano-N-(2-methylphenyl)prop-2-enamide
CID 4796926
(E)-3-(4-bromo-2-fluorophenyl)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 18229567
(E)-N-(4-chloro-3-nitrophenyl)-2-cyano-3-naphthalen-1-ylprop-2-enamide
CID 6308958
3-anthracen-9-yl-2-cyano-N-naphthalen-1-ylprop-2-enamide
CID 3936852
(Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825063
(Z)-3-(2-chlorophenyl)-2-cyano-N-(2-methoxyphenyl)prop-2-enamide
CID 2688789

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide (CID 6251517) is (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide is N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is QAKILANCMVSRNP-RVDMUPIBSA-N. The full InChI is InChI=1S/C20H12Cl2N2O/c21-17-9-4-10-18(19(17)22)24-20(25)15(12-23)11-14-7-3-6-13-5-1-2-8-16(13)14/h1-11H,(H,24,25)/b15-11+.
What are the key properties of (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide?
(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 367.24 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 6251517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).