5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide

C15H20F4N4O — CID 67978849

IUPAC5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCNc1cc(N2CCC(F)CC2)c(C(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C15H20F4N4O/c1-21-12-7-13(23-4-2-9(16)3-5-23)10(6-11(12)20)14(24)22-8-15(17,18)19/h6-7,9,21H,2-5,8,20H2,1H3,(H,22,24)
InChIKeyRSQHGFMBDUMWJB-UHFFFAOYSA-N
MW348.34 g/mol
LogP2.54
Rot. Bonds4

About 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide

5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 67978849) has the molecular formula C15H20F4N4O and a molecular weight of 348.34 g/mol. Its IUPAC name is 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID67978849
Molecular FormulaC15H20F4N4O
Molecular Weight348.34 g/mol
Exact Mass348.16
IUPAC Name5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCNc1cc(N2CCC(F)CC2)c(C(=O)NCC(F)(F)F)cc1N
InChIInChI=1S/C15H20F4N4O/c1-21-12-7-13(23-4-2-9(16)3-5-23)10(6-11(12)20)14(24)22-8-15(17,18)19/h6-7,9,21H,2-5,8,20H2,1H3,(H,22,24)
InChIKeyRSQHGFMBDUMWJB-UHFFFAOYSA-N
XLogP2.54
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.34
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-(methylamino)-2-[4-(trifluoromethyl)piperidin-1-yl]-N-(3,3,3-trifluoropropyl)benzamide
CID 86666490
5-amino-2-(6-azaspiro[2.5]octan-6-yl)-4-(methylamino)-N-(3,3,3-trifluoropropyl)benzamide
CID 67978811
5-amino-N-(cyclohexylmethyl)-4-(methylamino)-2-piperidin-1-ylbenzamide
CID 123494767
5-amino-2-(4-cyclopropylpiperazin-1-yl)-4-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 67978832
5-amino-2-chloro-N-(2,2-difluoropropyl)-4-(methylamino)benzamide
CID 67978209
5-amino-4-(ethylamino)-2-[(3R)-3-fluoropyrrolidin-1-yl]-N-(4-methylcyclohexyl)benzamide
CID 67978098
2-morpholin-4-yl-5-nitro-N-(2,2,2-trifluoroethyl)benzamide
CID 37266897
ethyl 5-amino-2-(3-azabicyclo[3.1.0]hexan-3-yl)-4-(methylamino)benzoate
CID 67978085
5-amino-4-(2,2-difluoroethylamino)-2-[(3R)-3-fluoropyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 86666472
4-chloro-1-N-methyl-5-(4-methylpiperidin-1-yl)benzene-1,2-diamine
CID 89275971
5-amino-2-(4-fluoropiperidin-1-yl)-6-(methylamino)-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 67957969
5-amino-2-[cyclopropyl(methyl)amino]-N-ethyl-4-(methylamino)benzamide
CID 67978063

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide (CID 67978849) is 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide is CNc1cc(N2CCC(F)CC2)c(C(=O)NCC(F)(F)F)cc1N.
What is the InChIKey of 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RSQHGFMBDUMWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F4N4O/c1-21-12-7-13(23-4-2-9(16)3-5-23)10(6-11(12)20)14(24)22-8-15(17,18)19/h6-7,9,21H,2-5,8,20H2,1H3,(H,22,24).
What are the key properties of 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide?
5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 348.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-fluoropiperidin-1-yl)-4-(methylamino)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 67978849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).