[(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate

C18H18FNO2 — CID 164678561

IUPAC[(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OC/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2/c1-14-4-10-17(11-5-14)20-13-18(21)22-12-2-3-15-6-8-16(19)9-7-15/h2-11,20H,12-13H2,1H3/b3-2+
InChIKeyQWLKOECLBXOOQI-NSCUHMNNSA-N
MW299.35 g/mol
LogP3.80
Rot. Bonds6

About [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate

[(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate (PubChem CID 164678561) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate.

Molecular Properties

Compound Name[(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate
PubChem CID164678561
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name[(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate
SMILESCc1ccc(NCC(=O)OC/C=C/c2ccc(F)cc2)cc1
InChIInChI=1S/C18H18FNO2/c1-14-4-10-17(11-5-14)20-13-18(21)22-12-2-3-15-6-8-16(19)9-7-15/h2-11,20H,12-13H2,1H3/b3-2+
InChIKeyQWLKOECLBXOOQI-NSCUHMNNSA-N
XLogP3.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[3-(trifluoromethyl)anilino]acetate
CID 251270
(4-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 302677
(3-Trifluoromethyl-phenylamino)-acetic acid ethyl ester
CID 247832
Ethyl [(3-methylphenyl)amino]acetate
CID 302673
(2-anilino-2-oxoethyl) (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2348320
Ethyl 2-(3-fluoro-4-methylanilino)acetate
CID 302645
Methyl N-(4-methylphenyl)alaninate
CID 3266102
Glycine, N-(4-methylphenyl)-, ethyl ester
CID 13263396
ethyl N-(2-methylphenyl)glycinate
CID 13435883
Glycine, N-(3,4-dimethylphenyl)-, ethyl ester
CID 302669
N-(2-fluoro-4-methylphenyl)-2-[(1-methyl-2-morpholin-4-ylethyl)amino]acetamide
CID 56703961
Ethyl 2-[4-(2-morpholin-4-ylethyl)anilino]propanoate
CID 72013265

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate?
The IUPAC name of [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate (CID 164678561) is [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate.
What is the SMILES notation for [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate?
The canonical SMILES for [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate is Cc1ccc(NCC(=O)OC/C=C/c2ccc(F)cc2)cc1.
What is the InChIKey of [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate?
The InChIKey is QWLKOECLBXOOQI-NSCUHMNNSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-14-4-10-17(11-5-14)20-13-18(21)22-12-2-3-15-6-8-16(19)9-7-15/h2-11,20H,12-13H2,1H3/b3-2+.
What are the key properties of [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate?
[(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate has a molecular weight of 299.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-fluorophenyl)prop-2-enyl] 2-(4-methylanilino)acetate is sourced from PubChem (CID 164678561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).