(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide

C14H13Cl2N3O2 — CID 108821717

IUPAC(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide
SMILESN#C/C(=C/N1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O2/c15-12-2-1-11(7-13(12)16)18-14(20)10(8-17)9-19-3-5-21-6-4-19/h1-2,7,9H,3-6H2,(H,18,20)/b10-9-
InChIKeyURWNWNOCPDUWRH-KTKRTIGZSA-N
MW326.18 g/mol
LogP2.67
Rot. Bonds3

About (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide

(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide (PubChem CID 108821717) has the molecular formula C14H13Cl2N3O2 and a molecular weight of 326.18 g/mol. Its IUPAC name is (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide
PubChem CID108821717
Molecular FormulaC14H13Cl2N3O2
Molecular Weight326.18 g/mol
Exact Mass325.04
IUPAC Name(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide
SMILESN#C/C(=C/N1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H13Cl2N3O2/c15-12-2-1-11(7-13(12)16)18-14(20)10(8-17)9-19-3-5-21-6-4-19/h1-2,7,9H,3-6H2,(H,18,20)/b10-9-
InChIKeyURWNWNOCPDUWRH-KTKRTIGZSA-N
XLogP2.67
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 52.67
H-Bond Donors ≤ 51
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-morpholin-4-ylprop-2-enamide
CID 108825445
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-morpholin-4-ylethylamino)prop-2-enamide
CID 108821769
(Z)-2-cyano-3-morpholin-4-yl-N-(4-nitrophenyl)prop-2-enamide
CID 108852937
(Z)-N-(4-chlorophenyl)-2-cyano-3-piperidin-1-ylprop-2-enamide
CID 108860772
(Z)-2-cyano-3-morpholin-4-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 108851082
(Z)-N-(4-amino-3-chlorophenyl)-2-cyano-3-(4-ethylpiperazin-1-yl)prop-2-enamide
CID 108859672
(Z)-N-(4-amino-3-chlorophenyl)-3-(4-benzylpiperazin-1-yl)-2-cyanoprop-2-enamide
CID 108859450
(Z)-N-[(4-chlorophenyl)methyl]-2-cyano-3-morpholin-4-ylprop-2-enamide
CID 108839574
(Z)-3-(4-benzhydrylpiperazin-1-yl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-2-cyanoprop-2-enamide
CID 108858873
1-[(Z)-3-(3-chloro-4-methoxyanilino)-2-cyano-3-oxoprop-1-enyl]piperidine-4-carboxylic acid
CID 108825787
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-[4-(dimethylamino)anilino]prop-2-enamide
CID 108821856
methyl 4-[(Z)-3-(4-chloro-3-nitroanilino)-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate
CID 108852480

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide (CID 108821717) is (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide is N#C/C(=C/N1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide?
The InChIKey is URWNWNOCPDUWRH-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H13Cl2N3O2/c15-12-2-1-11(7-13(12)16)18-14(20)10(8-17)9-19-3-5-21-6-4-19/h1-2,7,9H,3-6H2,(H,18,20)/b10-9-.
What are the key properties of (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide?
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide has a molecular weight of 326.18 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(3,4-dichlorophenyl)-3-morpholin-4-ylprop-2-enamide is sourced from PubChem (CID 108821717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).