(Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide

C13H12F3N3O — CID 108829770

IUPAC(Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H12F3N3O/c1-7(2)19-13(20)8(5-17)6-18-10-4-3-9(14)11(15)12(10)16/h3-4,6-7,18H,1-2H3,(H,19,20)/b8-6-
InChIKeyVFCDPZKJCARGQF-VURMDHGXSA-N
MW283.25 g/mol
LogP2.45
Rot. Bonds4

About (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide

(Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide (PubChem CID 108829770) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide
PubChem CID108829770
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC Name(Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide
SMILESCC(C)NC(=O)/C(C#N)=C\Nc1ccc(F)c(F)c1F
InChIInChI=1S/C13H12F3N3O/c1-7(2)19-13(20)8(5-17)6-18-10-4-3-9(14)11(15)12(10)16/h3-4,6-7,18H,1-2H3,(H,19,20)/b8-6-
InChIKeyVFCDPZKJCARGQF-VURMDHGXSA-N
XLogP2.45
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-tert-butyl-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108837944
(Z)-2-cyano-3-(2,5-dichloroanilino)-N-propan-2-ylprop-2-enamide
CID 108829487
(Z)-N-(2-chlorophenyl)-2-cyano-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108824561
(E)-2-cyano-3-(2,3-difluorophenyl)-N-propan-2-ylprop-2-enamide
CID 75370058
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2,3,4-trifluoroanilino)prop-2-enamide
CID 108815253
(Z)-3-(4-amino-2-chloroanilino)-2-cyano-N-propan-2-ylprop-2-enamide
CID 108829577
(Z)-3-[(5-chloro-2-pyridinyl)amino]-2-cyano-N-propan-2-ylprop-2-enamide
CID 108829814
(Z)-2-cyano-3-(4-iodoanilino)-N-propan-2-ylprop-2-enamide
CID 108829739
2-[[(Z)-2-cyano-3-(2,4-difluoroanilino)prop-2-enoyl]amino]propanoic acid
CID 108844982
(Z)-2-(piperazine-1-carbonyl)-3-(2,3,4-trifluoroanilino)prop-2-enenitrile
CID 108820088
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
2-[[(Z)-2-cyano-3-(2,4-difluoroanilino)prop-2-enoyl]amino]-3-methylbutanoic acid
CID 108845728

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide (CID 108829770) is (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide is CC(C)NC(=O)/C(C#N)=C\Nc1ccc(F)c(F)c1F.
What is the InChIKey of (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide?
The InChIKey is VFCDPZKJCARGQF-VURMDHGXSA-N. The full InChI is InChI=1S/C13H12F3N3O/c1-7(2)19-13(20)8(5-17)6-18-10-4-3-9(14)11(15)12(10)16/h3-4,6-7,18H,1-2H3,(H,19,20)/b8-6-.
What are the key properties of (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide?
(Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide has a molecular weight of 283.25 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-propan-2-yl-3-(2,3,4-trifluoroanilino)prop-2-enamide is sourced from PubChem (CID 108829770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).