methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate

C15H18FN3O2 — CID 66162021

IUPACmethyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
SMILESCOC(=O)C(Nc1ccccc1F)c1cncn1C(C)C
InChIInChI=1S/C15H18FN3O2/c1-10(2)19-9-17-8-13(19)14(15(20)21-3)18-12-7-5-4-6-11(12)16/h4-10,14,18H,1-3H3
InChIKeyJYBLVUWXLIGBLM-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.93
Rot. Bonds5

About methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate

methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate (PubChem CID 66162021) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
PubChem CID66162021
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Namemethyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate
SMILESCOC(=O)C(Nc1ccccc1F)c1cncn1C(C)C
InChIInChI=1S/C15H18FN3O2/c1-10(2)19-9-17-8-13(19)14(15(20)21-3)18-12-7-5-4-6-11(12)16/h4-10,14,18H,1-3H3
InChIKeyJYBLVUWXLIGBLM-UHFFFAOYSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66163017
2-(2-methoxyanilino)-2-(3-propan-2-ylimidazol-4-yl)acetic acid
CID 66164809
2-(2-bromoanilino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162816
methyl 2-(ethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66162019
methyl 2-(3,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 60993465
2-(propan-2-ylamino)-2-(3-propan-2-ylimidazol-4-yl)acetamide
CID 66162615
methyl 2-(2-fluoroanilino)-2-(6-piperidin-1-yl-3-pyridinyl)acetate
CID 59200619
methyl 2-(2,4-dichlorophenyl)-2-(2-fluoroanilino)acetate
CID 61001245
methyl 2-(2-fluoroanilino)-2-(3-methylthiophen-2-yl)acetate
CID 61346959
methyl (2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-2-(3-methylimidazol-4-yl)acetate
CID 99791300
methyl 2-(5-ethylthiophen-2-yl)-2-(2-fluoroanilino)acetate
CID 62347183
(2,3-difluorophenyl)-(3-propan-2-ylimidazol-4-yl)methanol
CID 66164038

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
The IUPAC name of methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate (CID 66162021) is methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
The canonical SMILES for methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate is COC(=O)C(Nc1ccccc1F)c1cncn1C(C)C.
What is the InChIKey of methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
The InChIKey is JYBLVUWXLIGBLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10(2)19-9-17-8-13(19)14(15(20)21-3)18-12-7-5-4-6-11(12)16/h4-10,14,18H,1-3H3.
What are the key properties of methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate?
methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate has a molecular weight of 291.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoroanilino)-2-(3-propan-2-ylimidazol-4-yl)acetate is sourced from PubChem (CID 66162021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).