(Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide

C15H16F2N2O2 — CID 2314698

IUPAC(Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16F2N2O2/c1-3-19(4-2)14(20)12(10-18)9-11-5-7-13(8-6-11)21-15(16)17/h5-9,15H,3-4H2,1-2H3/b12-9-
InChIKeyCBJGBDWWZXXEJN-XFXZXTDPSA-N
MW294.30 g/mol
LogP3.06
Rot. Bonds6

About (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide

(Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide (PubChem CID 2314698) has the molecular formula C15H16F2N2O2 and a molecular weight of 294.30 g/mol. Its IUPAC name is (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide
PubChem CID2314698
Molecular FormulaC15H16F2N2O2
Molecular Weight294.30 g/mol
Exact Mass294.12
IUPAC Name(Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide
SMILESCCN(CC)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1
InChIInChI=1S/C15H16F2N2O2/c1-3-19(4-2)14(20)12(10-18)9-11-5-7-13(8-6-11)21-15(16)17/h5-9,15H,3-4H2,1-2H3/b12-9-
InChIKeyCBJGBDWWZXXEJN-XFXZXTDPSA-N
XLogP3.06
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
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)-3-(4-butoxyphenyl)-2-cyano-N,N-diethylprop-2-enamide
CID 19175711
(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-methyl-N-(1-methylpiperidin-1-ium-4-yl)prop-2-enamide
CID 2314263
ethyl 4-[2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 4806301
2-cyano-3-[4-(difluoromethoxy)phenyl]prop-2-enethioamide
CID 5070292
3-(1,3-benzodioxol-5-yl)-2-cyano-N,N-diethylprop-2-enamide
CID 3584733
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate
CID 8880674
[(2R)-1-[4-(difluoromethoxy)phenyl]-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 8934485
ethyl (Z)-2-cyano-3-(4-propan-2-yloxyphenyl)prop-2-enoate
CID 6388784
(Z)-2-cyano-3-(4-methoxyphenyl)-N,N-dimethylprop-2-enamide
CID 5375025
(E)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 2314487
2-cyano-3-[4-(difluoromethoxy)phenyl]-N-pyridin-3-ylprop-2-enamide
CID 3645175
(Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 6387176

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide (CID 2314698) is (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide is CCN(CC)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1.
What is the InChIKey of (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide?
The InChIKey is CBJGBDWWZXXEJN-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H16F2N2O2/c1-3-19(4-2)14(20)12(10-18)9-11-5-7-13(8-6-11)21-15(16)17/h5-9,15H,3-4H2,1-2H3/b12-9-.
What are the key properties of (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide?
(Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide has a molecular weight of 294.30 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-[4-(difluoromethoxy)phenyl]-N,N-diethylprop-2-enamide is sourced from PubChem (CID 2314698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).