methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate

C14H18FNO2 — CID 103236318

IUPACmethyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate
SMILESCC/C(=C/CNc1ccc(C)cc1F)C(=O)OC
InChIInChI=1S/C14H18FNO2/c1-4-11(14(17)18-3)7-8-16-13-6-5-10(2)9-12(13)15/h5-7,9,16H,4,8H2,1-3H3/b11-7-
InChIKeyYMPUINKVSQMGJH-XFFZJAGNSA-N
MW251.30 g/mol
LogP3.06
Rot. Bonds5

About methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate

methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate (PubChem CID 103236318) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate
PubChem CID103236318
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate
SMILESCC/C(=C/CNc1ccc(C)cc1F)C(=O)OC
InChIInChI=1S/C14H18FNO2/c1-4-11(14(17)18-3)7-8-16-13-6-5-10(2)9-12(13)15/h5-7,9,16H,4,8H2,1-3H3/b11-7-
InChIKeyYMPUINKVSQMGJH-XFFZJAGNSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.06
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

methyl (Z)-4-(2,3-difluoroanilino)-2-ethylbut-2-enoate
CID 103242673
methyl (Z)-2-ethyl-4-(3-fluoro-4-methoxyanilino)but-2-enoate
CID 103237879
methyl 4-(2,6-dibromo-4-methylanilino)-2-ethylbut-2-enoate
CID 103236809
methyl (Z)-4-(5-cyano-2-methylanilino)-2-ethylbut-2-enoate
CID 103248486
methyl (Z)-4-[(4-bromonaphthalen-1-yl)amino]-2-ethylbut-2-enoate
CID 103263662
methyl 4-(3,4-difluorophenyl)sulfanyl-2-ethylbut-2-enoate
CID 77102151
methyl (Z)-4-[2-(difluoromethylsulfanyl)anilino]-2-ethylbut-2-enoate
CID 103232608
methyl 4-(2,4-dimethylphenoxy)-2-ethylbut-2-enoate
CID 77100370
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
3-(2-fluoro-4-methylanilino)-2-hydroxy-2-methylpropanoic acid
CID 104643855
methyl 2-ethyl-4-(5-methyl-2,3-dioxoindol-1-yl)but-2-enoate
CID 77100945
methyl (Z)-4-(4-carbamoylanilino)-2-ethylbut-2-enoate
CID 103233248

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate?
The IUPAC name of methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate (CID 103236318) is methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate.
What is the SMILES notation for methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate?
The canonical SMILES for methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate is CC/C(=C/CNc1ccc(C)cc1F)C(=O)OC.
What is the InChIKey of methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate?
The InChIKey is YMPUINKVSQMGJH-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-4-11(14(17)18-3)7-8-16-13-6-5-10(2)9-12(13)15/h5-7,9,16H,4,8H2,1-3H3/b11-7-.
What are the key properties of methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate?
methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate has a molecular weight of 251.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-ethyl-4-(2-fluoro-4-methylanilino)but-2-enoate is sourced from PubChem (CID 103236318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).