(Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide

C18H14F2N2O2 — CID 2351623

IUPAC(Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESN#C/C(=C/c1ccccc1OC(F)F)C(=O)NCc1ccccc1
InChIInChI=1S/C18H14F2N2O2/c19-18(20)24-16-9-5-4-8-14(16)10-15(11-21)17(23)22-12-13-6-2-1-3-7-13/h1-10,18H,12H2,(H,22,23)/b15-10-
InChIKeyUHKYQCBECONYAC-GDNBJRDFSA-N
MW328.32 g/mol
LogP3.51
Rot. Bonds6

About (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide

(Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide (PubChem CID 2351623) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
PubChem CID2351623
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name(Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
SMILESN#C/C(=C/c1ccccc1OC(F)F)C(=O)NCc1ccccc1
InChIInChI=1S/C18H14F2N2O2/c19-18(20)24-16-9-5-4-8-14(16)10-15(11-21)17(23)22-12-13-6-2-1-3-7-13/h1-10,18H,12H2,(H,22,23)/b15-10-
InChIKeyUHKYQCBECONYAC-GDNBJRDFSA-N
XLogP3.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.51
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

(E)-N-benzyl-2-cyano-3-(2-propoxyphenyl)prop-2-enamide
CID 19206673
(Z)-2-benzoyl-3-[2-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 74766181
(E)-3-[2,4-bis(difluoromethoxy)phenyl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
CID 8862937
(E)-3-[2-(2-anilino-2-oxoethoxy)phenyl]-N-benzyl-2-cyanoprop-2-enamide
CID 126061312
(Z)-2-cyano-3-(2-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 124626592
(E)-N-benzyl-2-cyano-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 35635544
(2Z,4E)-N-benzyl-2-cyano-5-(2-methoxyphenyl)penta-2,4-dienamide
CID 2351530
(E)-2-cyano-3-[2-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 7972150
(E)-N-benzyl-2-cyano-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 7966899
(Z)-N-benzyl-2-cyano-3-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 124570330
(Z)-N-(3-chlorophenyl)-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 2713850
(Z)-2-cyano-N-[(4-fluorophenyl)methyl]-3-phenylprop-2-enamide
CID 2426715

Frequently Asked Questions

What is the IUPAC name of (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide (CID 2351623) is (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide is N#C/C(=C/c1ccccc1OC(F)F)C(=O)NCc1ccccc1.
What is the InChIKey of (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is UHKYQCBECONYAC-GDNBJRDFSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c19-18(20)24-16-9-5-4-8-14(16)10-15(11-21)17(23)22-12-13-6-2-1-3-7-13/h1-10,18H,12H2,(H,22,23)/b15-10-.
What are the key properties of (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide?
(Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 328.32 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-benzyl-2-cyano-3-[2-(difluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 2351623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).