(Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide

C19H12F3NOS — CID 68715960

IUPAC(Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
SMILESO=C(/C=C\c1ccc(-c2ccccc2F)s1)Nc1cccc(F)c1F
InChIInChI=1S/C19H12F3NOS/c20-14-5-2-1-4-13(14)17-10-8-12(25-17)9-11-18(24)23-16-7-3-6-15(21)19(16)22/h1-11H,(H,23,24)/b11-9-
InChIKeyXJFNZBWKISEXCS-LUAWRHEFSA-N
MW359.37 g/mol
LogP5.48
Rot. Bonds4

About (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide

(Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide (PubChem CID 68715960) has the molecular formula C19H12F3NOS and a molecular weight of 359.37 g/mol. Its IUPAC name is (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
PubChem CID68715960
Molecular FormulaC19H12F3NOS
Molecular Weight359.37 g/mol
Exact Mass359.06
IUPAC Name(Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
SMILESO=C(/C=C\c1ccc(-c2ccccc2F)s1)Nc1cccc(F)c1F
InChIInChI=1S/C19H12F3NOS/c20-14-5-2-1-4-13(14)17-10-8-12(25-17)9-11-18(24)23-16-7-3-6-15(21)19(16)22/h1-11H,(H,23,24)/b11-9-
InChIKeyXJFNZBWKISEXCS-LUAWRHEFSA-N
XLogP5.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.37
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(1,3-thiazol-2-yl)prop-2-enamide
CID 36654925
3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide
CID 68711741
N-[2-[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]ethyl]-2-methylpropanamide
CID 36801314
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-methoxy-N-methylprop-2-enamide
CID 47153642
3-[[[(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enoyl]amino]methyl]benzamide
CID 33098154
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]prop-2-enamide
CID 46564232
2-[3-[5-(4-fluorophenyl)thiophen-2-yl]prop-2-enoylamino]-N-methylbenzamide
CID 76855623
(Z)-N-(2,3-difluorophenyl)-3-(4-pyridin-4-ylthiophen-2-yl)prop-2-enamide
CID 68712023
(E)-3-[5-(2-fluorophenyl)thiophen-2-yl]-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)prop-2-enamide
CID 46552434
N,N-bis(2-amino-2-oxoethyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide
CID 72685707
2-fluoro-6-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]benzoic acid
CID 43442781
(E)-N-(5-fluoro-2-methylphenyl)-3-(5-phenylthiophen-2-yl)prop-2-enamide
CID 18277303

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The IUPAC name of (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide (CID 68715960) is (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide is O=C(/C=C\c1ccc(-c2ccccc2F)s1)Nc1cccc(F)c1F.
What is the InChIKey of (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide?
The InChIKey is XJFNZBWKISEXCS-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H12F3NOS/c20-14-5-2-1-4-13(14)17-10-8-12(25-17)9-11-18(24)23-16-7-3-6-15(21)19(16)22/h1-11H,(H,23,24)/b11-9-.
What are the key properties of (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide?
(Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide has a molecular weight of 359.37 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2,3-difluorophenyl)-3-[5-(2-fluorophenyl)thiophen-2-yl]prop-2-enamide is sourced from PubChem (CID 68715960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).