2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide

C18H20FN3O2 — CID 51167401

IUPAC2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)C(c1ccccc1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c1-20-18(24)21-17(23)16(14-6-4-3-5-7-14)22(2)12-13-8-10-15(19)11-9-13/h3-11,16H,12H2,1-2H3,(H2,20,21,23,24)
InChIKeyRBEVXYHRIJHVSW-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.45
Rot. Bonds5

About 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide

2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide (PubChem CID 51167401) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
PubChem CID51167401
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
SMILESCNC(=O)NC(=O)C(c1ccccc1)N(C)Cc1ccc(F)cc1
InChIInChI=1S/C18H20FN3O2/c1-20-18(24)21-17(23)16(14-6-4-3-5-7-14)22(2)12-13-8-10-15(19)11-9-13/h3-11,16H,12H2,1-2H3,(H2,20,21,23,24)
InChIKeyRBEVXYHRIJHVSW-UHFFFAOYSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]-2-phenylacetamide
CID 8517511
N-methyl-4-[[methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]amino]methyl]benzamide
CID 9123829
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 51168376
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 26650360
(2S)-N-(ethylcarbamoyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-phenylacetamide
CID 8595597
(2S)-2-[(1-benzylpyrazol-4-yl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 26641517
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]-2-phenylacetamide
CID 51168270
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-phenylacetamide
CID 8912953
N-cyclopropyl-2-(4-fluorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]acetamide
CID 24594082
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8767355
N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]-2-phenylacetamide
CID 55351737

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide (CID 51167401) is 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide is CNC(=O)NC(=O)C(c1ccccc1)N(C)Cc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
The InChIKey is RBEVXYHRIJHVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-20-18(24)21-17(23)16(14-6-4-3-5-7-14)22(2)12-13-8-10-15(19)11-9-13/h3-11,16H,12H2,1-2H3,(H2,20,21,23,24).
What are the key properties of 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide?
2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide has a molecular weight of 329.38 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)-2-phenylacetamide is sourced from PubChem (CID 51167401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).