N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide

C19H19F3N2O3 — CID 55606042

IUPACN-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12(2)17(25)23-14-5-7-15(8-6-14)24-18(26)13-3-9-16(10-4-13)27-11-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGCPQBHZKPDMIMS-UHFFFAOYSA-N
MW380.37 g/mol
LogP4.47
Rot. Bonds6

About N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide

N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 55606042) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
PubChem CID55606042
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H19F3N2O3/c1-12(2)17(25)23-14-5-7-15(8-6-14)24-18(26)13-3-9-16(10-4-13)27-11-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyGCPQBHZKPDMIMS-UHFFFAOYSA-N
XLogP4.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
4-[2-[4-(2,2,2-trifluoroethoxy)anilino]propanoylamino]benzamide
CID 42887485
N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
CID 111433002
2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 134026710
4-[[4-(2-methylpropanoylamino)benzoyl]amino]benzoic acid
CID 17172328
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 134010368
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474776
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
CID 2328696
N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide
CID 163343246
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide
CID 17468094

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide (CID 55606042) is N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(OCC(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is GCPQBHZKPDMIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-12(2)17(25)23-14-5-7-15(8-6-14)24-18(26)13-3-9-16(10-4-13)27-11-19(20,21)22/h3-10,12H,11H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide?
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 380.37 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 55606042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).