2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide

C13H12FN3O3 — CID 47039415

IUPAC2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide
SMILESNC(=O)c1cc(NC(=O)NCc2ccoc2)ccc1F
InChIInChI=1S/C13H12FN3O3/c14-11-2-1-9(5-10(11)12(15)18)17-13(19)16-6-8-3-4-20-7-8/h1-5,7H,6H2,(H2,15,18)(H2,16,17,19)
InChIKeyVJFPTXOTQLSJFY-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.84
Rot. Bonds4

About 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide

2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide (PubChem CID 47039415) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide
PubChem CID47039415
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide
SMILESNC(=O)c1cc(NC(=O)NCc2ccoc2)ccc1F
InChIInChI=1S/C13H12FN3O3/c14-11-2-1-9(5-10(11)12(15)18)17-13(19)16-6-8-3-4-20-7-8/h1-5,7H,6H2,(H2,15,18)(H2,16,17,19)
InChIKeyVJFPTXOTQLSJFY-UHFFFAOYSA-N
XLogP1.84
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide
CID 51102571
2-fluoro-5-(propylcarbamoylamino)benzamide
CID 47203145
2-fluoro-5-(furan-3-ylmethylamino)benzoic acid
CID 63204868
1-(2,6-difluorophenyl)-3-(furan-3-ylmethyl)urea
CID 47038823
N-[4-fluoro-3-(furan-3-ylmethylamino)phenyl]acetamide
CID 55161647
1-benzyl-3-(3-carbamimidoyl-4-fluorophenyl)urea
CID 107654630
2-fluoro-5-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61196451
N-(4-chlorophenyl)-2-(furan-3-ylmethylcarbamoylamino)acetamide
CID 51091961
2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
5-[(2-amino-2-oxoethyl)carbamoylamino]-2-fluorobenzoic acid
CID 61187824
2-[2-(furan-3-ylmethylcarbamoylamino)phenyl]acetamide
CID 47039420
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide?
The IUPAC name of 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide (CID 47039415) is 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide.
What is the SMILES notation for 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide?
The canonical SMILES for 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide is NC(=O)c1cc(NC(=O)NCc2ccoc2)ccc1F.
What is the InChIKey of 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide?
The InChIKey is VJFPTXOTQLSJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c14-11-2-1-9(5-10(11)12(15)18)17-13(19)16-6-8-3-4-20-7-8/h1-5,7H,6H2,(H2,15,18)(H2,16,17,19).
What are the key properties of 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide?
2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide has a molecular weight of 277.26 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide is sourced from PubChem (CID 47039415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).