3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid

C14H19FN2O3 — CID 62648373

IUPAC3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid
SMILESCC(CN1CCOCC1)Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-10(9-17-5-7-20-8-6-17)16-13-11(14(18)19)3-2-4-12(13)15/h2-4,10,16H,5-9H2,1H3,(H,18,19)
InChIKeyICIXQCMMYFYRDK-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.66
Rot. Bonds5

About 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid

3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid (PubChem CID 62648373) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid
PubChem CID62648373
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid
SMILESCC(CN1CCOCC1)Nc1c(F)cccc1C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-10(9-17-5-7-20-8-6-17)16-13-11(14(18)19)3-2-4-12(13)15/h2-4,10,16H,5-9H2,1H3,(H,18,19)
InChIKeyICIXQCMMYFYRDK-UHFFFAOYSA-N
XLogP1.66
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-morpholin-4-ylpropan-1-one
CID 13422049
3-fluoro-2-(5-methylhexan-2-ylamino)benzoic acid
CID 63925104
3-fluoro-N-(1-morpholin-4-ylpropan-2-yl)pyridin-2-amine
CID 62733426
[(2S)-1-morpholin-4-ylpropan-2-yl] 2-fluorobenzoate
CID 844339
2-fluoro-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 9149743
3-methyl-2-(1-morpholin-4-ylpropan-2-ylamino)benzonitrile
CID 107106633
3-fluoro-2-(2-methylpropylamino)benzoic acid
CID 62649634
2-(1-pyrrolidin-1-ylpropan-2-ylamino)benzoic acid
CID 62232558
3-fluoro-2-(2-morpholin-4-ylethoxy)benzoic acid
CID 112612211
2,3,4-trifluoro-N-(2-methyl-3-morpholin-4-ylpropyl)benzamide
CID 110445750
methyl 2-(2-fluorophenyl)-3-morpholin-4-ylpropanoate
CID 117244261
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97224410

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid?
The IUPAC name of 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid (CID 62648373) is 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid?
The canonical SMILES for 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid is CC(CN1CCOCC1)Nc1c(F)cccc1C(=O)O.
What is the InChIKey of 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid?
The InChIKey is ICIXQCMMYFYRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-10(9-17-5-7-20-8-6-17)16-13-11(14(18)19)3-2-4-12(13)15/h2-4,10,16H,5-9H2,1H3,(H,18,19).
What are the key properties of 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid?
3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid has a molecular weight of 282.31 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-morpholin-4-ylpropan-2-ylamino)benzoic acid is sourced from PubChem (CID 62648373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).