2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

C17H16F3N3O2 — CID 41397473

IUPAC2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CNc1ccccc1-c1ccccc1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)11-22-16(25)23-15(24)10-21-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H2,22,23,24,25)
InChIKeyYYBSNSGCZVIAJH-UHFFFAOYSA-N
MW351.33 g/mol
LogP3.15
Rot. Bonds5

About 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide

2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (PubChem CID 41397473) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
PubChem CID41397473
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC Name2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
SMILESO=C(CNc1ccccc1-c1ccccc1)NC(=O)NCC(F)(F)F
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)11-22-16(25)23-15(24)10-21-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H2,22,23,24,25)
InChIKeyYYBSNSGCZVIAJH-UHFFFAOYSA-N
XLogP3.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylanilino)-N-(propylcarbamoyl)acetamide
CID 42068134
N-(tert-butylcarbamoyl)-2-(2-phenylanilino)acetamide
CID 42068095
2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8596621
N-(cyclopropylmethyl)-2-(2-phenylanilino)acetamide
CID 28569421
2-anilino-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119726408
methyl 2-(2-phenylanilino)acetate
CID 28569437
2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8641468
2-[[(S)-furan-2-yl(phenyl)methyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8756496
2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 75380587
2-(2-methoxyanilino)-N-(2-phenylphenyl)acetamide
CID 9080600
[2-oxo-2-(2,2,2-trifluoroethylcarbamoylamino)ethyl] 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618474
2-[2-(4-aminophenyl)anilino]acetic acid
CID 22051456

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The IUPAC name of 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide (CID 41397473) is 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is O=C(CNc1ccccc1-c1ccccc1)NC(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
The InChIKey is YYBSNSGCZVIAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)11-22-16(25)23-15(24)10-21-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,21H,10-11H2,(H2,22,23,24,25).
What are the key properties of 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide?
2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide has a molecular weight of 351.33 g/mol, XLogP of 3.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylanilino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide is sourced from PubChem (CID 41397473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).