2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide

C16H22FN3O4 — CID 74241945

IUPAC2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide
SMILESCN(CC1(CO)CCOCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C16H22FN3O4/c1-20(9-16(10-21)4-6-24-7-5-16)15(23)19-11-2-3-13(17)12(8-11)14(18)22/h2-3,8,21H,4-7,9-10H2,1H3,(H2,18,22)(H,19,23)
InChIKeyAGFJEPOPAYDLLZ-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.18
Rot. Bonds5

About 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide

2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide (PubChem CID 74241945) has the molecular formula C16H22FN3O4 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide
PubChem CID74241945
Molecular FormulaC16H22FN3O4
Molecular Weight339.37 g/mol
Exact Mass339.16
IUPAC Name2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide
SMILESCN(CC1(CO)CCOCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1
InChIInChI=1S/C16H22FN3O4/c1-20(9-16(10-21)4-6-24-7-5-16)15(23)19-11-2-3-13(17)12(8-11)14(18)22/h2-3,8,21H,4-7,9-10H2,1H3,(H2,18,22)(H,19,23)
InChIKeyAGFJEPOPAYDLLZ-UHFFFAOYSA-N
XLogP1.18
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-5-fluorophenyl)-1-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-methylurea
CID 74242282
3-(3-carbamothioyl-4-fluorophenyl)-1-ethyl-1-methylurea
CID 79160236
1-[[4-(hydroxymethyl)oxan-4-yl]methyl]-1-methyl-3-[3-(2-methylprop-2-enoxy)phenyl]urea
CID 72888412
3-[3-fluoro-4-(4-methylpyrazol-1-yl)phenyl]-1-[[1-(hydroxymethyl)cyclopropyl]methyl]-1-methylurea
CID 126794238
5-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2-fluorobenzoic acid
CID 61198437
2-fluoro-5-[[2-hydroxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 55061089
3-(4-aminophenyl)-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114950105
4-amino-N-(3-carbamoyl-4-fluorophenyl)-3-methyloxolane-3-carboxamide
CID 66248653
3-[4-(aminomethyl)phenyl]-1-[(4-hydroxyoxan-4-yl)methyl]-1-methylurea
CID 114950713
3-(3-carbamoyl-4-fluoroanilino)-2-methyl-3-oxopropanoic acid
CID 114897829
5-[[(2S)-2-aminopentanoyl]amino]-2-fluorobenzamide
CID 107568539
5-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-fluorobenzamide
CID 61180404

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide?
The IUPAC name of 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide (CID 74241945) is 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide.
What is the SMILES notation for 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide?
The canonical SMILES for 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide is CN(CC1(CO)CCOCC1)C(=O)Nc1ccc(F)c(C(N)=O)c1.
What is the InChIKey of 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide?
The InChIKey is AGFJEPOPAYDLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O4/c1-20(9-16(10-21)4-6-24-7-5-16)15(23)19-11-2-3-13(17)12(8-11)14(18)22/h2-3,8,21H,4-7,9-10H2,1H3,(H2,18,22)(H,19,23).
What are the key properties of 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide?
2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide has a molecular weight of 339.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[[[4-(hydroxymethyl)oxan-4-yl]methyl-methylcarbamoyl]amino]benzamide is sourced from PubChem (CID 74241945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).