3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

C25H22F3N3O3 — CID 71685503

IUPAC3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22F3N3O3/c1-16-12-13-19(22(32)29-15-25(26,27)28)14-20(16)30-24(34)21(17-8-4-2-5-9-17)31-23(33)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,29,32)(H,30,34)(H,31,33)
InChIKeyVCFMETKYGXXQPL-UHFFFAOYSA-N
MW469.46 g/mol
LogP4.40
Rot. Bonds7

About 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide

3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 71685503) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID71685503
Molecular FormulaC25H22F3N3O3
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC Name3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(NC(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H22F3N3O3/c1-16-12-13-19(22(32)29-15-25(26,27)28)14-20(16)30-24(34)21(17-8-4-2-5-9-17)31-23(33)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,29,32)(H,30,34)(H,31,33)
InChIKeyVCFMETKYGXXQPL-UHFFFAOYSA-N
XLogP4.40
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-amino-3-phenylpropanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119949954
N-[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-4-(2,2,2-trifluoroethylcarbamoylamino)benzamide
CID 163890695
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55785407
N-ethyl-3-[(2-hydroxy-2-phenylacetyl)amino]-4-methylbenzamide
CID 110895294
3-[(4-butoxybenzoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785183
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119290851
3-[[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamoylamino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60591169
2-methyl-3-[methyl-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]amino]propanoic acid
CID 122076338
5-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55785215
3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55784735
N-[2-[2-(2-methylphenyl)ethylamino]-2-oxo-1-phenylethyl]benzamide
CID 55456531
3-[(2-amino-2-methylpentanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726148

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 71685503) is 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)C(NC(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is VCFMETKYGXXQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c1-16-12-13-19(22(32)29-15-25(26,27)28)14-20(16)30-24(34)21(17-8-4-2-5-9-17)31-23(33)18-10-6-3-7-11-18/h2-14,21H,15H2,1H3,(H,29,32)(H,30,34)(H,31,33).
What are the key properties of 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide?
3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 469.46 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 71685503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).