N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide

C23H21F4N3O3 — CID 155452627

IUPACN-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide
SMILESCCc1nc(OC)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1Nc1ccc(F)cc1C
InChIInChI=1S/C23H21F4N3O3/c1-4-17-19(9-10-21(29-17)32-3)30-22(31)16-7-6-15(33-23(25,26)27)12-20(16)28-18-8-5-14(24)11-13(18)2/h5-12,28H,4H2,1-3H3,(H,30,31)
InChIKeyDMXAWMWRCGFHBL-UHFFFAOYSA-N
MW463.43 g/mol
LogP5.99
Rot. Bonds7

About N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide

N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide (PubChem CID 155452627) has the molecular formula C23H21F4N3O3 and a molecular weight of 463.43 g/mol. Its IUPAC name is N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide
PubChem CID155452627
Molecular FormulaC23H21F4N3O3
Molecular Weight463.43 g/mol
Exact Mass463.15
IUPAC NameN-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide
SMILESCCc1nc(OC)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1Nc1ccc(F)cc1C
InChIInChI=1S/C23H21F4N3O3/c1-4-17-19(9-10-21(29-17)32-3)30-22(31)16-7-6-15(33-23(25,26)27)12-20(16)28-18-8-5-14(24)11-13(18)2/h5-12,28H,4H2,1-3H3,(H,30,31)
InChIKeyDMXAWMWRCGFHBL-UHFFFAOYSA-N
XLogP5.99
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.43
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4-fluoro-2-methylanilino)-4-methoxybenzoate
CID 155452288
N-(2-chloro-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-5-(trifluoromethyl)benzamide
CID 155452663
2-(4-fluoro-2-methylanilino)-N-(6-methoxy-4-methylpyridazin-3-yl)-4-(trifluoromethyl)benzamide
CID 155452862
2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 155452612
N-(5-fluoro-6-methoxy-2-methyl-3-pyridinyl)-5-[2-methyl-4-(trifluoromethoxy)anilino]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 167129764
2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 155452610
2-fluoro-4-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71970253
4-ethyl-N-(4-fluoro-2-methylphenyl)-2-methylsulfanylpyrimidine-5-carboxamide
CID 20913801
N-(4-fluoro-2-methylphenyl)-3-methoxynaphthalene-2-carboxamide
CID 7924533
2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452593
4-fluoro-2-(4-iodo-2-methylanilino)-N-(2H-tetrazol-5-yl)benzamide
CID 10216768
methyl 5-amino-2-(4-fluoro-2-methylanilino)benzoate
CID 61306561

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide (CID 155452627) is N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide is CCc1nc(OC)ccc1NC(=O)c1ccc(OC(F)(F)F)cc1Nc1ccc(F)cc1C.
What is the InChIKey of N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide?
The InChIKey is DMXAWMWRCGFHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F4N3O3/c1-4-17-19(9-10-21(29-17)32-3)30-22(31)16-7-6-15(33-23(25,26)27)12-20(16)28-18-8-5-14(24)11-13(18)2/h5-12,28H,4H2,1-3H3,(H,30,31).
What are the key properties of N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide?
N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide has a molecular weight of 463.43 g/mol, XLogP of 5.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 155452627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).