2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide

C20H23F3N4O — CID 167299959

IUPAC2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide
SMILESCNC(=O)c1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1N
InChIInChI=1S/C20H23F3N4O/c1-25-19(28)17-7-4-15(12-18(17)24)26-14-2-5-16(6-3-14)27-10-8-13(9-11-27)20(21,22)23/h2-7,12-13,26H,8-11,24H2,1H3,(H,25,28)
InChIKeyOQCQKGDIBCKRBK-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.15
Rot. Bonds4

About 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide

2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide (PubChem CID 167299959) has the molecular formula C20H23F3N4O and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide
PubChem CID167299959
Molecular FormulaC20H23F3N4O
Molecular Weight392.43 g/mol
Exact Mass392.18
IUPAC Name2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide
SMILESCNC(=O)c1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1N
InChIInChI=1S/C20H23F3N4O/c1-25-19(28)17-7-4-15(12-18(17)24)26-14-2-5-16(6-3-14)27-10-8-13(9-11-27)20(21,22)23/h2-7,12-13,26H,8-11,24H2,1H3,(H,25,28)
InChIKeyOQCQKGDIBCKRBK-UHFFFAOYSA-N
XLogP4.15
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 166061952
2-[3-(methylamino)propyliminomethyl]-4-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]benzene-1,4-diamine
CID 167300100
1-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]pyrrolidine-3-carboxamide
CID 166062233
2-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-1,2-benzoxazol-3-one
CID 167300444
1-methyl-6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-3,4-dihydroquinolin-2-one
CID 167300242
2-[2-(methylamino)-5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenoxy]acetaldehyde
CID 167300445
5-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]-2,3-dihydroisoindol-1-one
CID 167300425
1-methyl-N-[4-[4-(trifluoromethyl)piperidin-1-yl]phenyl]indazol-5-amine
CID 167300671
tert-butyl 6-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]indazole-1-carboxylate
CID 171615105
4-amino-N-[[4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]butanamide
CID 166062587
1-ethyl-N-[[2-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062458
2-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]aniline
CID 146019174

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide?
The IUPAC name of 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide (CID 167299959) is 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide.
What is the SMILES notation for 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide?
The canonical SMILES for 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide is CNC(=O)c1ccc(Nc2ccc(N3CCC(C(F)(F)F)CC3)cc2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide?
The InChIKey is OQCQKGDIBCKRBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O/c1-25-19(28)17-7-4-15(12-18(17)24)26-14-2-5-16(6-3-14)27-10-8-13(9-11-27)20(21,22)23/h2-7,12-13,26H,8-11,24H2,1H3,(H,25,28).
What are the key properties of 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide?
2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide has a molecular weight of 392.43 g/mol, XLogP of 4.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-[4-[4-(trifluoromethyl)piperidin-1-yl]anilino]benzamide is sourced from PubChem (CID 167299959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).