2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid

C15H17FN2O3 — CID 61481026

IUPAC2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H17FN2O3/c16-10-5-6-12(11(7-10)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)
InChIKeyYQTBEMRANMZORB-UHFFFAOYSA-N
MW292.31 g/mol
LogP2.83
Rot. Bonds5

About 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid

2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid (PubChem CID 61481026) has the molecular formula C15H17FN2O3 and a molecular weight of 292.31 g/mol. Its IUPAC name is 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid
PubChem CID61481026
Molecular FormulaC15H17FN2O3
Molecular Weight292.31 g/mol
Exact Mass292.12
IUPAC Name2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid
SMILESO=C(Nc1ccc(F)cc1C(=O)O)NC(C1CC1)C1CC1
InChIInChI=1S/C15H17FN2O3/c16-10-5-6-12(11(7-10)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)
InChIKeyYQTBEMRANMZORB-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

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Related Compounds

2-(dicyclopropylmethylcarbamoylamino)benzoic acid
CID 61480864
5-fluoro-2-(3-methylbutan-2-ylcarbamoylamino)benzoic acid
CID 61185797
5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 61480748
5-fluoro-2-[1-(oxolan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61198695
5-fluoro-2-(hexan-2-ylcarbamoylamino)benzoic acid
CID 62198977
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-5-fluorobenzoic acid
CID 82937403
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
5-fluoro-2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoylamino]benzoic acid
CID 61202309
5-fluoro-2-[(3-methylcyclopentyl)methylcarbamoylamino]benzoic acid
CID 107414704
2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]-5-fluorobenzoic acid
CID 106670745
5-fluoro-2-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]benzoic acid
CID 106283385
1-(3-chloro-2-fluorophenyl)-3-(dicyclopropylmethyl)urea
CID 47198534

Frequently Asked Questions

What is the IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid?
The IUPAC name of 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid (CID 61481026) is 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid.
What is the SMILES notation for 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid?
The canonical SMILES for 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid is O=C(Nc1ccc(F)cc1C(=O)O)NC(C1CC1)C1CC1.
What is the InChIKey of 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid?
The InChIKey is YQTBEMRANMZORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O3/c16-10-5-6-12(11(7-10)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 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid?
2-(dicyclopropylmethylcarbamoylamino)-5-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 2-(dicyclopropylmethylcarbamoylamino)-5-fluorobenzoic acid is sourced from PubChem (CID 61481026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).