(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide

C24H19Cl2N3O — CID 108828890

IUPAC(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2N3O/c25-21-11-12-23(22(26)13-21)28-24(30)20(14-27)17-29(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-13,17H,15-16H2,(H,28,30)/b20-17-
InChIKeyYSOCWIOBSMKCSH-JZJYNLBNSA-N
MW436.34 g/mol
LogP6.04
Rot. Bonds7

About (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide

(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide (PubChem CID 108828890) has the molecular formula C24H19Cl2N3O and a molecular weight of 436.34 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide
PubChem CID108828890
Molecular FormulaC24H19Cl2N3O
Molecular Weight436.34 g/mol
Exact Mass435.09
IUPAC Name(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide
SMILESN#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H19Cl2N3O/c25-21-11-12-23(22(26)13-21)28-24(30)20(14-27)17-29(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-13,17H,15-16H2,(H,28,30)/b20-17-
InChIKeyYSOCWIOBSMKCSH-JZJYNLBNSA-N
XLogP6.04
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.34
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-N-(4-amino-2-chlorophenyl)-3-[benzyl(ethyl)amino]-2-cyanoprop-2-enamide
CID 108859545
(Z)-N-(5-chloro-2-methoxyphenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108827781
(Z)-3-[benzyl(ethyl)amino]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824422
(Z)-3-[benzyl(2-hydroxyethyl)amino]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824426
(Z)-2-cyano-3-(dibenzylamino)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843352
(Z)-3-[benzyl(ethyl)amino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825168
(Z)-N-(4-aminophenyl)-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108818087
(Z)-3-[benzyl(2-hydroxyethyl)amino]-N-(3-chlorophenyl)-2-cyanoprop-2-enamide
CID 108860461
(Z)-3-[benzyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)-2-cyanoprop-2-enamide
CID 108827743
(Z)-3-[butyl(methyl)amino]-2-cyano-N-(2,4-dichlorophenyl)prop-2-enamide
CID 108828936
(Z)-N-benzyl-2-cyano-3-(dibenzylamino)prop-2-enamide
CID 108842244
2-[[(Z)-2-cyano-3-(2,4-dichloroanilino)-3-oxoprop-1-enyl]amino]acetic acid
CID 108828792

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide (CID 108828890) is (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide is N#C/C(=C/N(Cc1ccccc1)Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide?
The InChIKey is YSOCWIOBSMKCSH-JZJYNLBNSA-N. The full InChI is InChI=1S/C24H19Cl2N3O/c25-21-11-12-23(22(26)13-21)28-24(30)20(14-27)17-29(15-18-7-3-1-4-8-18)16-19-9-5-2-6-10-19/h1-13,17H,15-16H2,(H,28,30)/b20-17-.
What are the key properties of (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide?
(Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide has a molecular weight of 436.34 g/mol, XLogP of 6.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dibenzylamino)-N-(2,4-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 108828890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).