(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide

C18H15Cl2N3O2 — CID 108825437

IUPAC(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide
SMILESCOc1ccc(CN/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-25-15-5-2-12(3-6-15)10-22-11-13(9-21)18(24)23-17-8-14(19)4-7-16(17)20/h2-8,11,22H,10H2,1H3,(H,23,24)/b13-11-
InChIKeyVBTAGRTUUHNLJW-QBFSEMIESA-N
MW376.24 g/mol
LogP4.14
Rot. Bonds6

About (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide

(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide (PubChem CID 108825437) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide
PubChem CID108825437
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide
SMILESCOc1ccc(CN/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C18H15Cl2N3O2/c1-25-15-5-2-12(3-6-15)10-22-11-13(9-21)18(24)23-17-8-14(19)4-7-16(17)20/h2-8,11,22H,10H2,1H3,(H,23,24)/b13-11-
InChIKeyVBTAGRTUUHNLJW-QBFSEMIESA-N
XLogP4.14
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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)-2-cyano-N-(2,5-dichlorophenyl)-3-[1-(4-methoxyphenyl)ethylamino]prop-2-enamide
CID 108825455
(Z)-N-(5-chloro-2-methylphenyl)-2-cyano-3-[(3-methoxyphenyl)methylamino]prop-2-enamide
CID 108850220
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(3-methoxypropylamino)prop-2-enamide
CID 108825426
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
(Z)-3-(2-chloroethylamino)-2-cyano-N-(2,5-dichlorophenyl)prop-2-enamide
CID 108825474
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[2-(4-hydroxyphenyl)ethylamino]prop-2-enamide
CID 108825406
(Z)-N-(4-amino-2-chlorophenyl)-3-[(4-chlorophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108859331
(Z)-2-cyano-N-(4-fluorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide
CID 108851820
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-(pentylamino)prop-2-enamide
CID 108825527
(Z)-2-cyano-3-[(4-methoxyphenyl)methylamino]-N-propan-2-ylprop-2-enamide
CID 108829528
(Z)-N-(3-chloro-2-methylphenyl)-3-[(4-chlorophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108823571
(Z)-3-[(4-chlorophenyl)methylamino]-2-cyano-N-(2-hydroxyphenyl)prop-2-enamide
CID 108855164

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide (CID 108825437) is (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide is COc1ccc(CN/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide?
The InChIKey is VBTAGRTUUHNLJW-QBFSEMIESA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c1-25-15-5-2-12(3-6-15)10-22-11-13(9-21)18(24)23-17-8-14(19)4-7-16(17)20/h2-8,11,22H,10H2,1H3,(H,23,24)/b13-11-.
What are the key properties of (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide?
(Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide has a molecular weight of 376.24 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(2,5-dichlorophenyl)-3-[(4-methoxyphenyl)methylamino]prop-2-enamide is sourced from PubChem (CID 108825437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).