ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate

C19H20FNO2 — CID 118155417

IUPACethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[C@H](Nc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20FNO2/c1-4-23-19(22)14(3)18(15-7-5-13(2)6-8-15)21-17-11-9-16(20)10-12-17/h5-12,18,21H,3-4H2,1-2H3/t18-/m0/s1
InChIKeyOSAYKCJONUTAAZ-SFHVURJKSA-N
MW313.37 g/mol
LogP4.41
Rot. Bonds6

About ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate

ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate (PubChem CID 118155417) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate
PubChem CID118155417
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Nameethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate
SMILESC=C(C(=O)OCC)[C@H](Nc1ccc(F)cc1)c1ccc(C)cc1
InChIInChI=1S/C19H20FNO2/c1-4-23-19(22)14(3)18(15-7-5-13(2)6-8-15)21-17-11-9-16(20)10-12-17/h5-12,18,21H,3-4H2,1-2H3/t18-/m0/s1
InChIKeyOSAYKCJONUTAAZ-SFHVURJKSA-N
XLogP4.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(R)-anilino(phenyl)methyl]prop-2-enoate
CID 102132707
methyl 2-(4-fluoroanilino)-2-(4-methylphenyl)acetate
CID 60991414
(2R)-2-(4-fluorophenyl)-2-(4-methylanilino)acetamide
CID 93381369
ethyl 2-[anilino-(4-bromophenyl)methyl]prop-2-enoate
CID 123595092
ethyl 2-(4-fluoroanilino)-2-(6-methyl-3-pyridinyl)acetate
CID 104822527
methyl 2-(4-ethylphenyl)-2-(4-fluoroanilino)acetate
CID 60991285
ethyl 2-(4-methoxyanilino)-2-(4-methylphenyl)acetate
CID 102078700
methyl 2-[(R)-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-(4-fluoroanilino)methyl]prop-2-enoate
CID 138965368
ethyl (2S)-2-(3,4-dimethylanilino)-2-(4-methylphenyl)acetate
CID 135028793
ethyl 2-[(R)-[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 13360721
ethyl 2-[[(4-methylphenyl)sulfonylamino]-phenylmethyl]prop-2-enoate
CID 11089671
methyl 2-(4-fluorophenyl)-2-(4-methoxyanilino)acetate
CID 24814480

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate (CID 118155417) is ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate is C=C(C(=O)OCC)[C@H](Nc1ccc(F)cc1)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate?
The InChIKey is OSAYKCJONUTAAZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-4-23-19(22)14(3)18(15-7-5-13(2)6-8-15)21-17-11-9-16(20)10-12-17/h5-12,18,21H,3-4H2,1-2H3/t18-/m0/s1.
What are the key properties of ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate?
ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate has a molecular weight of 313.37 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(R)-(4-fluoroanilino)-(4-methylphenyl)methyl]prop-2-enoate is sourced from PubChem (CID 118155417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).