(Z)-N'-(2-fluorophenyl)but-2-enediamide

C10H9FN2O2 — CID 141192476

IUPAC(Z)-N'-(2-fluorophenyl)but-2-enediamide
SMILESNC(=O)/C=C\C(=O)Nc1ccccc1F
InChIInChI=1S/C10H9FN2O2/c11-7-3-1-2-4-8(7)13-10(15)6-5-9(12)14/h1-6H,(H2,12,14)(H,13,15)/b6-5-
InChIKeyCCDHAYHGRJPNGI-WAYWQWQTSA-N
MW208.19 g/mol
LogP0.81
Rot. Bonds3

About (Z)-N'-(2-fluorophenyl)but-2-enediamide

(Z)-N'-(2-fluorophenyl)but-2-enediamide (PubChem CID 141192476) has the molecular formula C10H9FN2O2 and a molecular weight of 208.19 g/mol. Its IUPAC name is (Z)-N'-(2-fluorophenyl)but-2-enediamide.

Molecular Properties

Compound Name(Z)-N'-(2-fluorophenyl)but-2-enediamide
PubChem CID141192476
Molecular FormulaC10H9FN2O2
Molecular Weight208.19 g/mol
Exact Mass208.06
IUPAC Name(Z)-N'-(2-fluorophenyl)but-2-enediamide
SMILESNC(=O)/C=C\C(=O)Nc1ccccc1F
InChIInChI=1S/C10H9FN2O2/c11-7-3-1-2-4-8(7)13-10(15)6-5-9(12)14/h1-6H,(H2,12,14)(H,13,15)/b6-5-
InChIKeyCCDHAYHGRJPNGI-WAYWQWQTSA-N
XLogP0.81
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluorophenyl)-3-(4-fluorophenyl)prop-2-enamide
CID 882978
2,2-dimethylpropyl (E)-4-(2-fluoroanilino)-4-oxobut-2-enoate
CID 91704861
N'-(2-ethylphenyl)but-2-enediamide
CID 131854117
3-(2-chlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 966058
N'-(2-fluorophenyl)propanediamide
CID 70002209
CID 162324012
CID 162324012
3-(4-cyanophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 71904483
(E)-3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700919
3-(2,4-dichlorophenyl)-N-(2-fluorophenyl)prop-2-enamide
CID 700917
(E)-4-[2-[[(E)-3-carboxyprop-2-enoyl]amino]anilino]-4-oxobut-2-enoic acid
CID 717763
4-[(E)-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-N,N-dimethylbenzamide
CID 110300734
ethyl 4-[(2-fluorophenyl)carbamothioylamino]-4-oxobut-2-enoate
CID 4928000

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-(2-fluorophenyl)but-2-enediamide?
The IUPAC name of (Z)-N'-(2-fluorophenyl)but-2-enediamide (CID 141192476) is (Z)-N'-(2-fluorophenyl)but-2-enediamide.
What is the SMILES notation for (Z)-N'-(2-fluorophenyl)but-2-enediamide?
The canonical SMILES for (Z)-N'-(2-fluorophenyl)but-2-enediamide is NC(=O)/C=C\C(=O)Nc1ccccc1F.
What is the InChIKey of (Z)-N'-(2-fluorophenyl)but-2-enediamide?
The InChIKey is CCDHAYHGRJPNGI-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H9FN2O2/c11-7-3-1-2-4-8(7)13-10(15)6-5-9(12)14/h1-6H,(H2,12,14)(H,13,15)/b6-5-.
What are the key properties of (Z)-N'-(2-fluorophenyl)but-2-enediamide?
(Z)-N'-(2-fluorophenyl)but-2-enediamide has a molecular weight of 208.19 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-(2-fluorophenyl)but-2-enediamide is sourced from PubChem (CID 141192476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).