2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide

C19H20F3N3O2 — CID 86785699

IUPAC2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1cc(C(F)(F)F)ccn1)C(C)C
InChIInChI=1S/C19H20F3N3O2/c1-11(2)16(25-17(26)14-7-5-4-6-12(14)3)18(27)24-15-10-13(8-9-23-15)19(20,21)22/h4-11,16H,1-3H3,(H,25,26)(H,23,24,27)
InChIKeyIFPULAOMTMERPR-UHFFFAOYSA-N
MW379.38 g/mol
LogP3.80
Rot. Bonds5

About 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide

2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide (PubChem CID 86785699) has the molecular formula C19H20F3N3O2 and a molecular weight of 379.38 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
PubChem CID86785699
Molecular FormulaC19H20F3N3O2
Molecular Weight379.38 g/mol
Exact Mass379.15
IUPAC Name2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)Nc1cc(C(F)(F)F)ccn1)C(C)C
InChIInChI=1S/C19H20F3N3O2/c1-11(2)16(25-17(26)14-7-5-4-6-12(14)3)18(27)24-15-10-13(8-9-23-15)19(20,21)22/h4-11,16H,1-3H3,(H,25,26)(H,23,24,27)
InChIKeyIFPULAOMTMERPR-UHFFFAOYSA-N
XLogP3.80
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
2-methyl-N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)butan-2-yl]benzamide
CID 30157647
2-methyl-N-[(2R)-3-methyl-1-oxo-1-(1,3-thiazol-2-ylamino)butan-2-yl]benzamide
CID 2666515
2-methyl-N-[(2S)-3-methyl-1-(naphthalen-2-ylamino)-1-oxobutan-2-yl]benzamide
CID 9138694
2-methyl-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 51149358
2-methyl-N-[(2R)-4-methyl-1-[(4-methyl-2-pyridinyl)amino]-1-oxopentan-2-yl]benzamide
CID 35028557
N-[1-(3-acetamidoanilino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51149888
3-[[(2R)-3-methyl-2-[(2-methylbenzoyl)amino]butanoyl]amino]benzoic acid
CID 40917495
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724
N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
CID 99782321
N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
CID 102561220
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide (CID 86785699) is 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide is Cc1ccccc1C(=O)NC(C(=O)Nc1cc(C(F)(F)F)ccn1)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide?
The InChIKey is IFPULAOMTMERPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O2/c1-11(2)16(25-17(26)14-7-5-4-6-12(14)3)18(27)24-15-10-13(8-9-23-15)19(20,21)22/h4-11,16H,1-3H3,(H,25,26)(H,23,24,27).
What are the key properties of 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide has a molecular weight of 379.38 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide is sourced from PubChem (CID 86785699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).