2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid

C14H19FN2O3 — CID 61199351

IUPAC2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
SMILESCC(C)CC(C)NC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H19FN2O3/c1-8(2)6-9(3)16-14(20)17-10-4-5-12(15)11(7-10)13(18)19/h4-5,7-9H,6H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyAJRIMHXUZRHGMM-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.08
Rot. Bonds5

About 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid

2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid (PubChem CID 61199351) has the molecular formula C14H19FN2O3 and a molecular weight of 282.32 g/mol. Its IUPAC name is 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
PubChem CID61199351
Molecular FormulaC14H19FN2O3
Molecular Weight282.32 g/mol
Exact Mass282.14
IUPAC Name2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
SMILESCC(C)CC(C)NC(=O)Nc1ccc(F)c(C(=O)O)c1
InChIInChI=1S/C14H19FN2O3/c1-8(2)6-9(3)16-14(20)17-10-4-5-12(15)11(7-10)13(18)19/h4-5,7-9H,6H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyAJRIMHXUZRHGMM-UHFFFAOYSA-N
XLogP3.08
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(4-methylpentan-2-ylcarbamoylamino)benzoic acid
CID 61399288
2-fluoro-5-(2-methylpropoxycarbonylamino)benzoic acid
CID 60827611
5-(dicyclopropylmethylcarbamoylamino)-2-fluorobenzoic acid
CID 61480748
2-fluoro-5-(2-methylsulfanylpropylcarbamoylamino)benzoic acid
CID 113466748
5-[(4-chlorophenyl)carbamoylamino]-2-fluorobenzoic acid
CID 60827610
1-butan-2-yl-3-(3-chloro-4-fluorophenyl)urea
CID 2951179
2-fluoro-4-(4-methylpentan-2-ylamino)benzoic acid
CID 115485152
5-[(4-amino-2-methylbutanoyl)amino]-2-fluorobenzoic acid
CID 80542603
1-[3-(1-aminoethyl)phenyl]-3-(4-methylpentan-2-yl)urea
CID 61341307
(2R)-2-[(5-acetamido-2-fluorobenzoyl)amino]-4-methylpentanoic acid
CID 119363829
5-[[(2R)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-2-fluorobenzamide
CID 94959792
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid?
The IUPAC name of 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid (CID 61199351) is 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid.
What is the SMILES notation for 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid?
The canonical SMILES for 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid is CC(C)CC(C)NC(=O)Nc1ccc(F)c(C(=O)O)c1.
What is the InChIKey of 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid?
The InChIKey is AJRIMHXUZRHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-8(2)6-9(3)16-14(20)17-10-4-5-12(15)11(7-10)13(18)19/h4-5,7-9H,6H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid?
2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid has a molecular weight of 282.32 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(4-methylpentan-2-ylcarbamoylamino)benzoic acid is sourced from PubChem (CID 61199351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).