(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide

C19H18FN3O — CID 108851777

IUPAC(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
SMILESCC(C)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-13(2)17-5-3-4-6-18(17)22-12-14(11-21)19(24)23-16-9-7-15(20)8-10-16/h3-10,12-13,22H,1-2H3,(H,23,24)/b14-12-
InChIKeyFJXNENUDVITHFN-OWBHPGMISA-N
MW323.37 g/mol
LogP4.41
Rot. Bonds5

About (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide

(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide (PubChem CID 108851777) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
PubChem CID108851777
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
SMILESCC(C)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-13(2)17-5-3-4-6-18(17)22-12-14(11-21)19(24)23-16-9-7-15(20)8-10-16/h3-10,12-13,22H,1-2H3,(H,23,24)/b14-12-
InChIKeyFJXNENUDVITHFN-OWBHPGMISA-N
XLogP4.41
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.41
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-(4-bromophenyl)-2-cyano-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108815713
(Z)-2-cyano-N-(3,4-dichlorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108821666
(Z)-2-cyano-N-(3,4-dimethoxyphenyl)-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108814967
(Z)-3-anilino-2-cyano-N-(4-fluorophenyl)prop-2-enamide
CID 108851908
(Z)-2-cyano-3-(2-methylanilino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824639
2-[4-[[(Z)-2-cyano-3-oxo-3-(2-propan-2-ylanilino)prop-1-enyl]amino]phenyl]acetic acid
CID 108824784
(Z)-N-butan-2-yl-2-cyano-3-(2-propan-2-ylanilino)prop-2-enamide
CID 108834314
(Z)-2-cyano-3-(2,4-difluoroanilino)-N-(4-fluorophenyl)prop-2-enamide
CID 108852059
2-[[(Z)-2-cyano-3-(2-propan-2-ylanilino)prop-2-enoyl]amino]acetic acid
CID 108843944
(Z)-2-cyano-3-(2,3-dichloroanilino)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 108824649
2-[[(Z)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]amino]propanoic acid
CID 108851831
(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-hydroxy-5-methylanilino)prop-2-enamide
CID 7708098

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide (CID 108851777) is (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide is CC(C)c1ccccc1N/C=C(/C#N)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide?
The InChIKey is FJXNENUDVITHFN-OWBHPGMISA-N. The full InChI is InChI=1S/C19H18FN3O/c1-13(2)17-5-3-4-6-18(17)22-12-14(11-21)19(24)23-16-9-7-15(20)8-10-16/h3-10,12-13,22H,1-2H3,(H,23,24)/b14-12-.
What are the key properties of (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide?
(Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide has a molecular weight of 323.37 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-N-(4-fluorophenyl)-3-(2-propan-2-ylanilino)prop-2-enamide is sourced from PubChem (CID 108851777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).