(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one

C19H14FNO — CID 126184239

IUPAC(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/Nc1cccc(F)c1)c1cccc2ccccc12
InChIInChI=1S/C19H14FNO/c20-15-7-4-8-16(13-15)21-12-11-19(22)18-10-3-6-14-5-1-2-9-17(14)18/h1-13,21H/b12-11+
InChIKeyHXGVGINFQGVEJN-VAWYXSNFSA-N
MW291.33 g/mol
LogP4.79
Rot. Bonds4

About (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one

(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one (PubChem CID 126184239) has the molecular formula C19H14FNO and a molecular weight of 291.33 g/mol. Its IUPAC name is (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
PubChem CID126184239
Molecular FormulaC19H14FNO
Molecular Weight291.33 g/mol
Exact Mass291.11
IUPAC Name(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
SMILESO=C(/C=C/Nc1cccc(F)c1)c1cccc2ccccc12
InChIInChI=1S/C19H14FNO/c20-15-7-4-8-16(13-15)21-12-11-19(22)18-10-3-6-14-5-1-2-9-17(14)18/h1-13,21H/b12-11+
InChIKeyHXGVGINFQGVEJN-VAWYXSNFSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 54.79
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-(3-methylanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126185289
(E)-3-(2,4-difluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126187125
(E)-3-[3-[(1R)-1-hydroxyethyl]anilino]-1-naphthalen-1-ylprop-2-en-1-one
CID 126187703
(Z)-3-(3-fluoroanilino)-1-pyridin-2-ylprop-2-en-1-one
CID 142601724
(Z)-3-(2-chloroanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582647
ethyl 4-[[(E)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzoate
CID 126182646
(Z)-3-(tert-butylamino)-1-naphthalen-1-ylprop-2-en-1-one
CID 58582610
N-[2-(3-fluoroanilino)-2-oxoethyl]naphthalene-1-carboxamide
CID 42765993
3-methyl-4-[[(E)-3-naphthalen-1-yl-3-oxoprop-1-enyl]amino]benzoic acid
CID 126186117
(E)-3-(2-methoxy-5-methylanilino)-1-naphthalen-1-ylprop-2-en-1-one
CID 126186705
(E)-1-(2,4-difluorophenyl)-3-naphthalen-1-ylprop-2-en-1-one
CID 7945612
(Z)-3-(3-chloroanilino)-1-(2,5-dichlorophenyl)prop-2-en-1-one
CID 18531911

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one (CID 126184239) is (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one is O=C(/C=C/Nc1cccc(F)c1)c1cccc2ccccc12.
What is the InChIKey of (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one?
The InChIKey is HXGVGINFQGVEJN-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H14FNO/c20-15-7-4-8-16(13-15)21-12-11-19(22)18-10-3-6-14-5-1-2-9-17(14)18/h1-13,21H/b12-11+.
What are the key properties of (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one?
(E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one has a molecular weight of 291.33 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoroanilino)-1-naphthalen-1-ylprop-2-en-1-one is sourced from PubChem (CID 126184239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).