2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid

C14H14FN3O2 — CID 66140045

IUPAC2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1cccc(F)c1)c1cncn1C1CC1
InChIInChI=1S/C14H14FN3O2/c15-9-2-1-3-10(6-9)17-13(14(19)20)12-7-16-8-18(12)11-4-5-11/h1-3,6-8,11,13,17H,4-5H2,(H,19,20)
InChIKeyBKQHBENBOWNHHI-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.59
Rot. Bonds5

About 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid

2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid (PubChem CID 66140045) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid
PubChem CID66140045
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid
SMILESO=C(O)C(Nc1cccc(F)c1)c1cncn1C1CC1
InChIInChI=1S/C14H14FN3O2/c15-9-2-1-3-10(6-9)17-13(14(19)20)12-7-16-8-18(12)11-4-5-11/h1-3,6-8,11,13,17H,4-5H2,(H,19,20)
InChIKeyBKQHBENBOWNHHI-UHFFFAOYSA-N
XLogP2.59
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromoanilino)-2-(3-cyclopropylimidazol-4-yl)acetic acid
CID 66139845
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173
2-(3,4-dichlorophenyl)-2-(3-fluoroanilino)acetic acid
CID 60993174
2-(3-bromoanilino)-2-(3-ethylimidazol-4-yl)acetic acid
CID 66135751
2-(3-fluoroanilino)-2-(oxan-4-yl)acetic acid
CID 62384897
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
2-(3-fluoroanilino)-2-(thiolan-3-yl)acetic acid
CID 107133036
2-(5-ethylthiophen-2-yl)-2-(3-fluoroanilino)acetic acid
CID 62346648
2-(1-benzothiophen-3-yl)-2-(3-fluoroanilino)acetic acid
CID 58556992
2-(3-fluoroanilino)-2-(4-methoxy-3-methylphenyl)acetic acid
CID 62131901
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid?
The IUPAC name of 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid (CID 66140045) is 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid?
The canonical SMILES for 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid is O=C(O)C(Nc1cccc(F)c1)c1cncn1C1CC1.
What is the InChIKey of 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid?
The InChIKey is BKQHBENBOWNHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-9-2-1-3-10(6-9)17-13(14(19)20)12-7-16-8-18(12)11-4-5-11/h1-3,6-8,11,13,17H,4-5H2,(H,19,20).
What are the key properties of 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid?
2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid has a molecular weight of 275.28 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropylimidazol-4-yl)-2-(3-fluoroanilino)acetic acid is sourced from PubChem (CID 66140045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).