5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid

C15H17FN2O3 — CID 61480748

IUPAC5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
SMILESO=C(Nc1ccc(F)c(C(=O)O)c1)NC(C1CC1)C1CC1
InChIInChI=1S/C15H17FN2O3/c16-12-6-5-10(7-11(12)14(19)20)17-15(21)18-13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H,19,20)(H2,17,18,21)
InChIKeyRTCOHAKMLODVAN-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.83
Rot. Bonds5

About 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid

5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid (PubChem CID 61480748) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid.

Molecular Properties

Compound Name5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
PubChem CID61480748
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
SMILESO=C(Nc1ccc(F)c(C(=O)O)c1)NC(C1CC1)C1CC1
InChIInChI=1S/C15H17FN2O3/c16-12-6-5-10(7-11(12)14(19)20)17-15(21)18-13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H,19,20)(H2,17,18,21)
InChIKeyRTCOHAKMLODVAN-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(cyclobutylcarbamoylamino)-2-fluorobenzoic acid
CID 62415401
2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid
CID 61481026
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 61199351
5-[[1-cyclopropylethyl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61201200
2-fluoro-5-[(4-methylcyclohexyl)carbamoylamino]benzoic acid
CID 61185098
5-(cyclobutylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 61199881
2-(dicyclopropylmethylcarbamoylamino)benzoic acid
CID 61480864
1-(1,3-benzodioxol-5-yl)-3-(dicyclopropylmethyl)urea
CID 47141802
2-fluoro-5-(piperidin-1-ylcarbamoylamino)benzoic acid
CID 83020637
5-(cyclopent-3-ene-1-carbonylamino)-2-fluorobenzoic acid
CID 64766907
2-fluoro-5-(pyrimidin-5-ylcarbamoylamino)benzoic acid
CID 107589277

Frequently Asked Questions

What is the IUPAC name of 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid?
The IUPAC name of 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid (CID 61480748) is 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid.
What is the SMILES notation for 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid?
The canonical SMILES for 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid is O=C(Nc1ccc(F)c(C(=O)O)c1)NC(C1CC1)C1CC1.
What is the InChIKey of 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid?
The InChIKey is RTCOHAKMLODVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-12-6-5-10(7-11(12)14(19)20)17-15(21)18-13(8-1-2-8)9-3-4-9/h5-9,13H,1-4H2,(H,19,20)(H2,17,18,21).
What are the key properties of 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid?
5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid has a molecular weight of 292.31 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid is sourced from PubChem (CID 61480748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).