2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid

C14H13FN2O4 — CID 61197379

IUPAC2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
SMILESCC(NC(=O)Nc1cccc(F)c1C(=O)O)c1ccco1
InChIInChI=1S/C14H13FN2O4/c1-8(11-6-3-7-21-11)16-14(20)17-10-5-2-4-9(15)12(10)13(18)19/h2-8H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTZKDUDPPSPHBJD-UHFFFAOYSA-N
MW292.27 g/mol
LogP3.00
Rot. Bonds4

About 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid

2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid (PubChem CID 61197379) has the molecular formula C14H13FN2O4 and a molecular weight of 292.27 g/mol. Its IUPAC name is 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
PubChem CID61197379
Molecular FormulaC14H13FN2O4
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Name2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
SMILESCC(NC(=O)Nc1cccc(F)c1C(=O)O)c1ccco1
InChIInChI=1S/C14H13FN2O4/c1-8(11-6-3-7-21-11)16-14(20)17-10-5-2-4-9(15)12(10)13(18)19/h2-8H,1H3,(H,18,19)(H2,16,17,20)
InChIKeyTZKDUDPPSPHBJD-UHFFFAOYSA-N
XLogP3.00
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(butan-2-ylcarbamoylamino)-6-fluorobenzoic acid
CID 61187180
1-[(1R)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473393
1-[(1S)-1-(furan-2-yl)ethyl]-3-phenylurea
CID 51473392
2-[1-(dimethylamino)propan-2-ylcarbamoylamino]-6-fluorobenzoic acid
CID 82939627
2-(2-aminopropanoylamino)-6-fluorobenzoic acid
CID 61156859
3-[1-(furan-2-yl)ethylcarbamoylamino]-4-methylbenzoic acid
CID 61197373
2-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]-6-fluorobenzoic acid
CID 61498833
4-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid
CID 61199818
2-(2-acetamidopropanoylamino)-6-fluorobenzoic acid
CID 43442727
1-(2-fluorophenyl)-3-[(1S)-1-phenylethyl]urea
CID 6995379
2-[1-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61199815
2,2-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 103515903

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid?
The IUPAC name of 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid (CID 61197379) is 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid?
The canonical SMILES for 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid is CC(NC(=O)Nc1cccc(F)c1C(=O)O)c1ccco1.
What is the InChIKey of 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid?
The InChIKey is TZKDUDPPSPHBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4/c1-8(11-6-3-7-21-11)16-14(20)17-10-5-2-4-9(15)12(10)13(18)19/h2-8H,1H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid?
2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid has a molecular weight of 292.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[1-(furan-2-yl)ethylcarbamoylamino]benzoic acid is sourced from PubChem (CID 61197379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).