2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide

C24H23F4N3O2 — CID 155452593

IUPAC2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2ccc(F)cc2C(C)C)c(C)n1
InChIInChI=1S/C24H23F4N3O2/c1-13(2)17-12-16(25)6-8-20(17)30-21-7-5-15(24(26,27)28)11-18(21)23(32)31-19-9-10-22(33-4)29-14(19)3/h5-13,30H,1-4H3,(H,31,32)
InChIKeyDHPJNWNFZYMGJH-UHFFFAOYSA-N
MW461.46 g/mol
LogP6.68
Rot. Bonds6

About 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide

2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide (PubChem CID 155452593) has the molecular formula C24H23F4N3O2 and a molecular weight of 461.46 g/mol. Its IUPAC name is 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
PubChem CID155452593
Molecular FormulaC24H23F4N3O2
Molecular Weight461.46 g/mol
Exact Mass461.17
IUPAC Name2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2ccc(F)cc2C(C)C)c(C)n1
InChIInChI=1S/C24H23F4N3O2/c1-13(2)17-12-16(25)6-8-20(17)30-21-7-5-15(24(26,27)28)11-18(21)23(32)31-19-9-10-22(33-4)29-14(19)3/h5-13,30H,1-4H3,(H,31,32)
InChIKeyDHPJNWNFZYMGJH-UHFFFAOYSA-N
XLogP6.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.46
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-6-methoxy-3-pyridinyl)-2-(4-fluoro-2-methylanilino)-5-(trifluoromethyl)benzamide
CID 155452663
2-(3-cyano-4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452867
ethyl 2-(4-fluoro-2-propan-2-ylanilino)-4-(trifluoromethyl)benzoate
CID 155452790
tert-butyl N-[2-[2-[2-[(2-bromo-6-methoxy-3-pyridinyl)carbamoyl]-4-(trifluoromethyl)anilino]-5-fluorophenoxy]ethyl]carbamate
CID 170612086
N-(6-methoxy-2-methyl-3-pyridinyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]-4-(trifluoromethyl)benzamide
CID 155452510
2-(4-fluoro-2-methylanilino)-N-(3-methoxy-1-methylpyrazol-5-yl)-4-(trifluoromethyl)benzamide
CID 155452612
2-(3-chloro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-3-carboxamide
CID 155452506
2-[2-[1-[2-(3-amino-6-methoxy-2-pyridinyl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]-4-fluoroanilino]-5-(trifluoromethyl)benzoic acid
CID 170437929
2-fluoro-4-methoxy-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 71970253
2-(4-fluoro-2-methylanilino)-N-(6-methoxy-4-methylpyridazin-3-yl)-4-(trifluoromethyl)benzamide
CID 155452862
2-chloro-6-(4-fluoro-2-methylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)benzamide
CID 155452610
2-(4-fluoro-2-methylanilino)-N-(5-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide
CID 155452342

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide (CID 155452593) is 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide is COc1ccc(NC(=O)c2cc(C(F)(F)F)ccc2Nc2ccc(F)cc2C(C)C)c(C)n1.
What is the InChIKey of 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
The InChIKey is DHPJNWNFZYMGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N3O2/c1-13(2)17-12-16(25)6-8-20(17)30-21-7-5-15(24(26,27)28)11-18(21)23(32)31-19-9-10-22(33-4)29-14(19)3/h5-13,30H,1-4H3,(H,31,32).
What are the key properties of 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide?
2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide has a molecular weight of 461.46 g/mol, XLogP of 6.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-propan-2-ylanilino)-N-(6-methoxy-2-methyl-3-pyridinyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 155452593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).