(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide

C17H12Cl3N3O — CID 108825051

IUPAC(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
SMILESN#C/C(=C/NCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H12Cl3N3O/c18-13-5-2-1-4-11(13)9-22-10-12(8-21)17(24)23-15-7-3-6-14(19)16(15)20/h1-7,10,22H,9H2,(H,23,24)/b12-10-
InChIKeyCGRRRCOTZJARRM-BENRWUELSA-N
MW380.66 g/mol
LogP4.78
Rot. Bonds5

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

(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide (PubChem CID 108825051) has the molecular formula C17H12Cl3N3O and a molecular weight of 380.66 g/mol. Its IUPAC name is (Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
PubChem CID108825051
Molecular FormulaC17H12Cl3N3O
Molecular Weight380.66 g/mol
Exact Mass379.00
IUPAC Name(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
SMILESN#C/C(=C/NCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C17H12Cl3N3O/c18-13-5-2-1-4-11(13)9-22-10-12(8-21)17(24)23-15-7-3-6-14(19)16(15)20/h1-7,10,22H,9H2,(H,23,24)/b12-10-
InChIKeyCGRRRCOTZJARRM-BENRWUELSA-N
XLogP4.78
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 54.78
H-Bond Donors ≤ 52
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)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2-phenylsulfanylphenyl)prop-2-enamide
CID 108857019
(Z)-3-(3-chloropropylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825100
(Z)-3-(1,3-benzodioxol-5-ylmethylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825066
(Z)-N-(3-acetylphenyl)-3-[(2-chlorophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108856646
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[3-(diethylamino)propylamino]prop-2-enamide
CID 108825180
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
CID 108852916
(Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825063
(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6251517
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2-hydroxyethylamino)prop-2-enamide
CID 108824466
(Z)-3-[[3-(aminomethyl)phenyl]methylamino]-N-(2-chlorophenyl)-2-cyanoprop-2-enamide
CID 108824388
(Z)-N-(4-butylphenyl)-3-[(2-chlorophenyl)methylamino]-2-cyanoprop-2-enamide
CID 108828034
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-[2-(3-fluorophenyl)ethylamino]prop-2-enamide
CID 108825341

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide (CID 108825051) is (Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide is N#C/C(=C/NCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide?
The InChIKey is CGRRRCOTZJARRM-BENRWUELSA-N. The full InChI is InChI=1S/C17H12Cl3N3O/c18-13-5-2-1-4-11(13)9-22-10-12(8-21)17(24)23-15-7-3-6-14(19)16(15)20/h1-7,10,22H,9H2,(H,23,24)/b12-10-.
What are the key properties of (Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide?
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide has a molecular weight of 380.66 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 108825051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).