methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate

C14H18FNO3 — CID 79049491

IUPACmethyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate
SMILESCOC(=O)C(Nc1cc(C)cc(F)c1)C1CCOC1
InChIInChI=1S/C14H18FNO3/c1-9-5-11(15)7-12(6-9)16-13(14(17)18-2)10-3-4-19-8-10/h5-7,10,13,16H,3-4,8H2,1-2H3
InChIKeyDRPZKULNLNRTRT-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.12
Rot. Bonds4

About methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate

methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate (PubChem CID 79049491) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate
PubChem CID79049491
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate
SMILESCOC(=O)C(Nc1cc(C)cc(F)c1)C1CCOC1
InChIInChI=1S/C14H18FNO3/c1-9-5-11(15)7-12(6-9)16-13(14(17)18-2)10-3-4-19-8-10/h5-7,10,13,16H,3-4,8H2,1-2H3
InChIKeyDRPZKULNLNRTRT-UHFFFAOYSA-N
XLogP2.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-fluoro-5-methylanilino)-2-(oxan-4-yl)acetic acid
CID 79049887
methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate
CID 63740597
methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate
CID 54889486
methyl 2-(4-chloroanilino)-2-(oxolan-3-yl)acetate
CID 54890745
methyl 2-(2-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890349
ethyl 2-(4-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890681
methyl 2-anilino-2-(oxan-4-yl)acetate
CID 62386905
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
2-cyclohex-3-en-1-yl-2-(3-fluoro-5-methylanilino)acetic acid
CID 79049578
2-(3-fluoro-5-methylanilino)-2-(5-methyloxolan-2-yl)acetic acid
CID 82838300
N-(dicyclopropylmethyl)-3-fluoro-5-methylaniline
CID 79054393
methyl 3-ethyl-2-(3-fluoro-5-methylanilino)pentanoate
CID 79050437

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate?
The IUPAC name of methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate (CID 79049491) is methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate.
What is the SMILES notation for methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate?
The canonical SMILES for methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate is COC(=O)C(Nc1cc(C)cc(F)c1)C1CCOC1.
What is the InChIKey of methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate?
The InChIKey is DRPZKULNLNRTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9-5-11(15)7-12(6-9)16-13(14(17)18-2)10-3-4-19-8-10/h5-7,10,13,16H,3-4,8H2,1-2H3.
What are the key properties of methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate?
methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate has a molecular weight of 267.30 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate is sourced from PubChem (CID 79049491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).