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

C23H17Cl2N3O — CID 108825063

IUPAC(Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
SMILESN#C/C(=C/NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C23H17Cl2N3O/c24-19-12-7-13-20(21(19)25)28-23(29)18(14-26)15-27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,15,22,27H,(H,28,29)/b18-15-
InChIKeyLEMQMCUEWUPISA-SDXDJHTJSA-N
MW422.32 g/mol
LogP5.72
Rot. Bonds6

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

(Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide (PubChem CID 108825063) has the molecular formula C23H17Cl2N3O and a molecular weight of 422.32 g/mol. Its IUPAC name is (Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
PubChem CID108825063
Molecular FormulaC23H17Cl2N3O
Molecular Weight422.32 g/mol
Exact Mass421.07
IUPAC Name(Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
SMILESN#C/C(=C/NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl
InChIInChI=1S/C23H17Cl2N3O/c24-19-12-7-13-20(21(19)25)28-23(29)18(14-26)15-27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,15,22,27H,(H,28,29)/b18-15-
InChIKeyLEMQMCUEWUPISA-SDXDJHTJSA-N
XLogP5.72
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.32
LogP ≤ 55.72
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)-N-(2-chlorophenyl)-2-cyano-3-(1-phenylethylamino)prop-2-enamide
CID 108824317
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825051
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824649
3-[[(Z)-2-cyano-3-(2,3-dichloroanilino)-3-oxoprop-1-enyl]amino]benzoic acid
CID 108824998
(Z)-3-(3-chloropropylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825100
(Z)-N-(3-chloro-2-methylphenyl)-2-cyano-3-(propan-2-ylamino)prop-2-enamide
CID 108823544
(Z)-3-(4-chloro-2-methylanilino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
CID 108825175
(Z)-2-cyano-N-(2,3-dichlorophenyl)-3-(4-nitroanilino)prop-2-enamide
CID 108825097
(Z)-3-(benzhydrylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
CID 108858894
(Z)-3-(benzhydrylamino)-2-cyano-N-(4-nitrophenyl)prop-2-enamide
CID 108852928
(E)-2-cyano-N-(2,3-dichlorophenyl)-3-naphthalen-1-ylprop-2-enamide
CID 6251517
(Z)-3-(benzhydrylamino)-N-(4-chloro-3-nitrophenyl)-2-cyanoprop-2-enamide
CID 108852182

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide (CID 108825063) is (Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide is N#C/C(=C/NC(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl.
What is the InChIKey of (Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide?
The InChIKey is LEMQMCUEWUPISA-SDXDJHTJSA-N. The full InChI is InChI=1S/C23H17Cl2N3O/c24-19-12-7-13-20(21(19)25)28-23(29)18(14-26)15-27-22(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-13,15,22,27H,(H,28,29)/b18-15-.
What are the key properties of (Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide?
(Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide has a molecular weight of 422.32 g/mol, XLogP of 5.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(benzhydrylamino)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide is sourced from PubChem (CID 108825063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).