phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate

C21H18FN3O4 — CID 171481580

IUPACphenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Oc3ccccc3)c(F)c2C)ccn1
InChIInChI=1S/C21H18FN3O4/c1-13-18(28-15-10-11-24-17(12-15)20(26)23-2)9-8-16(19(13)22)25-21(27)29-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,26)(H,25,27)
InChIKeyLZBSADLIHNOJHY-UHFFFAOYSA-N
MW395.39 g/mol
LogP4.29
Rot. Bonds5

About phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate

phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate (PubChem CID 171481580) has the molecular formula C21H18FN3O4 and a molecular weight of 395.39 g/mol. Its IUPAC name is phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
PubChem CID171481580
Molecular FormulaC21H18FN3O4
Molecular Weight395.39 g/mol
Exact Mass395.13
IUPAC Namephenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
SMILESCNC(=O)c1cc(Oc2ccc(NC(=O)Oc3ccccc3)c(F)c2C)ccn1
InChIInChI=1S/C21H18FN3O4/c1-13-18(28-15-10-11-24-17(12-15)20(26)23-2)9-8-16(19(13)22)25-21(27)29-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,26)(H,25,27)
InChIKeyLZBSADLIHNOJHY-UHFFFAOYSA-N
XLogP4.29
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]benzoic acid
CID 107672806
4-[2-(hydroxymethyl)phenoxy]-N-methylpyridine-2-carboxamide
CID 107713393
N-methyl-4-[2-[[2-methyl-3-(methylamino)propanoyl]amino]phenoxy]pyridine-2-carboxamide
CID 119893191
N-methyl-4-[2-methyl-4-[[4-methyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 142963034
4-[2-[[2-(cyclopropylmethylamino)acetyl]amino]phenoxy]-N-methylpyridine-2-carboxamide;dihydrochloride
CID 119893186
phenyl N-[4-[(3-chloro-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]-2-fluorophenyl]carbamate
CID 166090543
4-(5-hydrazinyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 86069287
4-(4-cyclopropyl-2-methylphenoxy)-N-methylpyridine-2-carboxamide
CID 154794734
N-methyl-4-[4-[(2-methylphenyl)carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 56931255
4-[4-[(2,5-difluorophenyl)carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide
CID 131953293
4-[4-[[(2-methoxy-4,5-dimethylphenyl)carbamoylamino]methyl]-2-methylphenoxy]-N-methylpyridine-2-carboxamide
CID 118301640
4-[2-[(4-amino-3-methoxybutanoyl)amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 120597201

Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The IUPAC name of phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate (CID 171481580) is phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate.
What is the SMILES notation for phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The canonical SMILES for phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate is CNC(=O)c1cc(Oc2ccc(NC(=O)Oc3ccccc3)c(F)c2C)ccn1.
What is the InChIKey of phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
The InChIKey is LZBSADLIHNOJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O4/c1-13-18(28-15-10-11-24-17(12-15)20(26)23-2)9-8-16(19(13)22)25-21(27)29-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,23,26)(H,25,27).
What are the key properties of phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate?
phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate has a molecular weight of 395.39 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-fluoro-3-methyl-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate is sourced from PubChem (CID 171481580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).