2-fluoro-5-(propylcarbamoylamino)benzamide

C11H14FN3O2 — CID 47203145

IUPAC2-fluoro-5-(propylcarbamoylamino)benzamide
SMILESCCCNC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H14FN3O2/c1-2-5-14-11(17)15-7-3-4-9(12)8(6-7)10(13)16/h3-4,6H,2,5H2,1H3,(H2,13,16)(H2,14,15,17)
InChIKeyJANATATXCARJGN-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.46
Rot. Bonds4

About 2-fluoro-5-(propylcarbamoylamino)benzamide

2-fluoro-5-(propylcarbamoylamino)benzamide (PubChem CID 47203145) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-fluoro-5-(propylcarbamoylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(propylcarbamoylamino)benzamide
PubChem CID47203145
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name2-fluoro-5-(propylcarbamoylamino)benzamide
SMILESCCCNC(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C11H14FN3O2/c1-2-5-14-11(17)15-7-3-4-9(12)8(6-7)10(13)16/h3-4,6H,2,5H2,1H3,(H2,13,16)(H2,14,15,17)
InChIKeyJANATATXCARJGN-UHFFFAOYSA-N
XLogP1.46
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-fluoro-3-(N'-hydroxycarbamimidoyl)phenyl]-3-propylurea
CID 76939353
5-[2-[(2R)-2-ethylpiperidin-1-yl]ethylcarbamoylamino]-2-fluorobenzamide
CID 95626206
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
2-fluoro-5-[[2-(hydroxymethyl)phenyl]methylcarbamoylamino]benzamide
CID 51102571
5-(3-aminopropylcarbamoylamino)-2-fluorobenzoic acid
CID 62273492
2-fluoro-5-(furan-3-ylmethylcarbamoylamino)benzamide
CID 47039415
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
2-bromo-5-(propylcarbamoylamino)benzoic acid
CID 115295944
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404
5-(2-aminopropanoylamino)-2-fluorobenzamide
CID 43706569
5-(3-aminobutanoylamino)-2-fluorobenzamide
CID 60837810

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(propylcarbamoylamino)benzamide?
The IUPAC name of 2-fluoro-5-(propylcarbamoylamino)benzamide (CID 47203145) is 2-fluoro-5-(propylcarbamoylamino)benzamide.
What is the SMILES notation for 2-fluoro-5-(propylcarbamoylamino)benzamide?
The canonical SMILES for 2-fluoro-5-(propylcarbamoylamino)benzamide is CCCNC(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 2-fluoro-5-(propylcarbamoylamino)benzamide?
The InChIKey is JANATATXCARJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c1-2-5-14-11(17)15-7-3-4-9(12)8(6-7)10(13)16/h3-4,6H,2,5H2,1H3,(H2,13,16)(H2,14,15,17).
What are the key properties of 2-fluoro-5-(propylcarbamoylamino)benzamide?
2-fluoro-5-(propylcarbamoylamino)benzamide has a molecular weight of 239.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(propylcarbamoylamino)benzamide is sourced from PubChem (CID 47203145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).