2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide

C11H14FN3O3 — CID 34083092

IUPAC2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNc1ccc(F)cc1OC
InChIInChI=1S/C11H14FN3O3/c1-13-11(17)15-10(16)6-14-8-4-3-7(12)5-9(8)18-2/h3-5,14H,6H2,1-2H3,(H2,13,15,16,17)
InChIKeySFBTVPVWWUCFOX-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.70
Rot. Bonds4

About 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide

2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide (PubChem CID 34083092) has the molecular formula C11H14FN3O3 and a molecular weight of 255.25 g/mol. Its IUPAC name is 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide
PubChem CID34083092
Molecular FormulaC11H14FN3O3
Molecular Weight255.25 g/mol
Exact Mass255.10
IUPAC Name2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CNc1ccc(F)cc1OC
InChIInChI=1S/C11H14FN3O3/c1-13-11(17)15-10(16)6-14-8-4-3-7(12)5-9(8)18-2/h3-5,14H,6H2,1-2H3,(H2,13,15,16,17)
InChIKeySFBTVPVWWUCFOX-UHFFFAOYSA-N
XLogP0.70
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-difluorophenyl)-2-(4-fluoro-2-methoxyanilino)acetamide
CID 34082938
2-(4-fluoro-2-methoxyanilino)-N-(2-methoxyethyl)acetamide
CID 54968324
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
2-[(4-fluoro-2-methoxyanilino)methyl]prop-2-enoic acid
CID 103245520
butyl 2-(4-fluoro-2-methoxyanilino)acetate
CID 54968572
N-[(E)-3-chloro-2-methylprop-2-enyl]-4-fluoro-2-methoxyaniline
CID 106437627
N-carbamoyl-2-(2,4-dimethoxyanilino)acetamide
CID 28570489
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302
N-(4-fluoro-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107025881
2-(4-cyanoanilino)-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 86825970
2-amino-3-(4-fluoro-2-methoxyanilino)propanamide
CID 103245523
2-hydroxyethyl N-(4-fluoro-2-methoxyphenyl)carbamate
CID 79349865

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide (CID 34083092) is 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CNc1ccc(F)cc1OC.
What is the InChIKey of 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide?
The InChIKey is SFBTVPVWWUCFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3/c1-13-11(17)15-10(16)6-14-8-4-3-7(12)5-9(8)18-2/h3-5,14H,6H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide?
2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide has a molecular weight of 255.25 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-methoxyanilino)-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 34083092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).