2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid

C13H15FN2O3 — CID 61208825

IUPAC2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
SMILESCN(CC1CC1)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C13H15FN2O3/c1-16(7-8-5-6-8)13(19)15-10-4-2-3-9(14)11(10)12(17)18/h2-4,8H,5-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyJWRLRMXEVVPSLS-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.40
Rot. Bonds4

About 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid

2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid (PubChem CID 61208825) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid.

Molecular Properties

Compound Name2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
PubChem CID61208825
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid
SMILESCN(CC1CC1)C(=O)Nc1cccc(F)c1C(=O)O
InChIInChI=1S/C13H15FN2O3/c1-16(7-8-5-6-8)13(19)15-10-4-2-3-9(14)11(10)12(17)18/h2-4,8H,5-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyJWRLRMXEVVPSLS-UHFFFAOYSA-N
XLogP2.40
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-6-[[methyl-[(2-methylcyclopropyl)methyl]carbamoyl]amino]benzoic acid
CID 63860051
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
2-[(2-cyclopropylacetyl)amino]-6-fluorobenzoic acid
CID 43442755
2-(diethylcarbamoylamino)-6-fluorobenzoic acid
CID 61187513
2-[[cyclopentylmethyl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 63656160
2-(1-cyclopropylpropan-2-ylamino)-6-fluorobenzoic acid
CID 79511640
2-fluoro-6-[[methyl(3-methylbutan-2-yl)carbamoyl]amino]benzoic acid
CID 61202324
2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-6-fluorobenzoic acid
CID 79511939
2-(1-cyclopropylbutan-2-ylamino)-6-fluorobenzoic acid
CID 79511641
3-(2-fluorophenyl)-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109395391
1-(cyclohexylmethyl)-3-(4-fluoro-2-methylphenyl)-1-methylurea
CID 47032646
2-fluoro-6-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]benzoic acid
CID 64597623

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid?
The IUPAC name of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid (CID 61208825) is 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid.
What is the SMILES notation for 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid?
The canonical SMILES for 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid is CN(CC1CC1)C(=O)Nc1cccc(F)c1C(=O)O.
What is the InChIKey of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid?
The InChIKey is JWRLRMXEVVPSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-16(7-8-5-6-8)13(19)15-10-4-2-3-9(14)11(10)12(17)18/h2-4,8H,5-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid?
2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid has a molecular weight of 266.27 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropylmethyl(methyl)carbamoyl]amino]-6-fluorobenzoic acid is sourced from PubChem (CID 61208825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).