N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide

C20H22F3N3O2 — CID 39095106

IUPACN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1
InChIInChI=1S/C20H22F3N3O2/c1-12(2)18(27)24-15-8-5-13(6-9-15)19(28)25-16-11-14(20(21,22)23)7-10-17(16)26(3)4/h5-12H,1-4H3,(H,24,27)(H,25,28)
InChIKeyLSHJJACHNLTSGE-UHFFFAOYSA-N
MW393.41 g/mol
LogP4.62
Rot. Bonds5

About N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide (PubChem CID 39095106) has the molecular formula C20H22F3N3O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
PubChem CID39095106
Molecular FormulaC20H22F3N3O2
Molecular Weight393.41 g/mol
Exact Mass393.17
IUPAC NameN-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
SMILESCC(C)C(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1
InChIInChI=1S/C20H22F3N3O2/c1-12(2)18(27)24-15-8-5-13(6-9-15)19(28)25-16-11-14(20(21,22)23)7-10-17(16)26(3)4/h5-12H,1-4H3,(H,24,27)(H,25,28)
InChIKeyLSHJJACHNLTSGE-UHFFFAOYSA-N
XLogP4.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide
CID 1214413
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 134000118
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 51152139
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 39393327
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 71881491
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2,6-difluorobenzamide
CID 78778889
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
1-N,4-N-bis[4-(2-methylpropanoylamino)phenyl]benzene-1,4-dicarboxamide
CID 17188207
N-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2-methylpropanoylamino)benzamide
CID 1302692
4-bromo-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 26181661
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide?
The IUPAC name of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide (CID 39095106) is N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide is CC(C)C(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide?
The InChIKey is LSHJJACHNLTSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O2/c1-12(2)18(27)24-15-8-5-13(6-9-15)19(28)25-16-11-14(20(21,22)23)7-10-17(16)26(3)4/h5-12H,1-4H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide?
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide has a molecular weight of 393.41 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-(2-methylpropanoylamino)benzamide is sourced from PubChem (CID 39095106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).