N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide

C10H9F3N2O2 — CID 71671968

IUPACN-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)8(16)15-9(17)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyPLANWYJVYJMHLO-UHFFFAOYSA-N
MW246.19 g/mol
LogP1.57
Rot. Bonds2

About N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide

N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide (PubChem CID 71671968) has the molecular formula C10H9F3N2O2 and a molecular weight of 246.19 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
PubChem CID71671968
Molecular FormulaC10H9F3N2O2
Molecular Weight246.19 g/mol
Exact Mass246.06
IUPAC NameN-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C10H9F3N2O2/c11-10(12,13)8(16)15-9(17)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,15,16,17)
InChIKeyPLANWYJVYJMHLO-UHFFFAOYSA-N
XLogP1.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(benzylcarbamoyl)carbamoyl chloride
CID 10443184
N-benzyl-2-bromo-2,2-difluoroacetamide
CID 86212006
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
2-fluoro-N-[(4-methoxyphenyl)methylcarbamoyl]-2-phenoxypropanamide
CID 138558880
N-benzyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 4525398
1-benzyl-3-methylurea;ethane
CID 90763782
N-benzyl-2-methyl-2-(methylamino)propanamide
CID 62834477
1-benzyl-3-[3,5-bis(trifluoromethyl)phenyl]urea
CID 45112292
1-benzyl-3-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 24664664
N-benzyl-3-(benzylamino)-4,4,4-trifluorobut-2-enamide
CID 3706822
N-[2-(benzylamino)phenyl]-2,2,2-trifluoroacetamide
CID 162403367
ethyl N-(benzylcarbamoyl)carbamate
CID 2748727

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide (CID 71671968) is N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide is O=C(NCc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide?
The InChIKey is PLANWYJVYJMHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2/c11-10(12,13)8(16)15-9(17)14-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,14,15,16,17).
What are the key properties of N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide?
N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide has a molecular weight of 246.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 71671968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).