2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid

C14H19FN2O3 — CID 61202324

IUPAC2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid
SMILESCC(C)C(C)N(C)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-8(2)9(3)17(4)14(20)16-11-7-5-6-10(15)12(11)13(18)19/h5-9H,1-4H3,(H,16,20)(H,18,19)
InChIKeyBICFVZMPSYNILU-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.03
Rot. Bonds4

About 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid

2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid (PubChem CID 61202324) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid
PubChem CID61202324
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Name2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid
SMILESCC(C)C(C)N(C)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C14H19FN2O3/c1-8(2)9(3)17(4)14(20)16-11-7-5-6-10(15)12(11)13(18)19/h5-9H,1-4H3,(H,16,20)(H,18,19)
InChIKeyBICFVZMPSYNILU-UHFFFAOYSA-N
XLogP3.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropanoylamino)-6-fluorobenzoic acid
CID 61156859
2-(diethylcarbamoylamino)-6-fluorobenzoic acid
CID 61187513
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-fluorobenzoic acid
CID 79522755
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
CID 61208825
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-6-fluorobenzoic acid
CID 82939627
2-[2-(dimethylamino)propylamino]-6-fluorobenzoic acid
CID 79522672
2-fluoro-6-(4-methylpentanoylamino)benzoic acid
CID 43442857
2-(2-acetamidopropanoylamino)-6-fluorobenzoic acid
CID 43442727
2-(butan-2-ylcarbamoylamino)-6-fluorobenzoic acid
CID 61187180
2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
CID 63860051
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
2-fluoro-6-(3-methylpentanoylamino)benzoic acid
CID 114873617

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid (CID 61202324) is 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid is CC(C)C(C)N(C)C(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid?
The InChIKey is BICFVZMPSYNILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-8(2)9(3)17(4)14(20)16-11-7-5-6-10(15)12(11)13(18)19/h5-9H,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid?
2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid has a molecular weight of 282.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 61202324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).