(Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide

C14H16FN3O3 — CID 108844443

IUPAC(Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1F)C(=O)N(CCO)CCO
InChIInChI=1S/C14H16FN3O3/c15-12-3-1-2-4-13(12)17-10-11(9-16)14(21)18(5-7-19)6-8-20/h1-4,10,17,19-20H,5-8H2/b11-10-
InChIKeyFZQJGLWIJGCJSY-KHPPLWFESA-N
MW293.30 g/mol
LogP0.46
Rot. Bonds7

About (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide

(Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide (PubChem CID 108844443) has the molecular formula C14H16FN3O3 and a molecular weight of 293.30 g/mol. Its IUPAC name is (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide
PubChem CID108844443
Molecular FormulaC14H16FN3O3
Molecular Weight293.30 g/mol
Exact Mass293.12
IUPAC Name(Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide
SMILESN#C/C(=C/Nc1ccccc1F)C(=O)N(CCO)CCO
InChIInChI=1S/C14H16FN3O3/c15-12-3-1-2-4-13(12)17-10-11(9-16)14(21)18(5-7-19)6-8-20/h1-4,10,17,19-20H,5-8H2/b11-10-
InChIKeyFZQJGLWIJGCJSY-KHPPLWFESA-N
XLogP0.46
TPSA96.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(naphthalen-1-ylamino)prop-2-enamide
CID 108844509
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(2-nitroanilino)prop-2-enamide
CID 108844295
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(4-iodo-2-methylanilino)prop-2-enamide
CID 108844412
(Z)-3-[(2-chlorophenyl)methylamino]-2-cyano-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844347
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(4-phenylbutylamino)prop-2-enamide
CID 108844651
3-[[(Z)-2-cyano-3-(2-fluoroanilino)prop-2-enoyl]amino]propanoic acid
CID 108817690
(Z)-2-cyano-3-(2-hydroxyanilino)-N,N-bis(prop-2-enyl)prop-2-enamide
CID 108861125
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(3-methoxyanilino)prop-2-enamide
CID 108844433
(Z)-2-cyano-3-(2-fluoroanilino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833327
(Z)-3-[2-(3-bromophenyl)ethylamino]-2-cyano-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844639
(Z)-3-[(4-bromophenyl)methylamino]-2-cyano-N,N-bis(2-hydroxyethyl)prop-2-enamide
CID 108844629
(Z)-2-cyano-N,N-bis(2-hydroxyethyl)-3-(1H-1,2,4-triazol-5-ylamino)prop-2-enamide
CID 108844530

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide (CID 108844443) is (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide is N#C/C(=C/Nc1ccccc1F)C(=O)N(CCO)CCO.
What is the InChIKey of (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
The InChIKey is FZQJGLWIJGCJSY-KHPPLWFESA-N. The full InChI is InChI=1S/C14H16FN3O3/c15-12-3-1-2-4-13(12)17-10-11(9-16)14(21)18(5-7-19)6-8-20/h1-4,10,17,19-20H,5-8H2/b11-10-.
What are the key properties of (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide?
(Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide has a molecular weight of 293.30 g/mol, XLogP of 0.46, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(2-fluoroanilino)-N,N-bis(2-hydroxyethyl)prop-2-enamide is sourced from PubChem (CID 108844443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).