N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide

C20H21F3N2O2 — CID 55749265

IUPACN-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H21F3N2O2/c1-3-13(2)25-19(27)15-7-4-6-14(10-15)12-24-18(26)16-8-5-9-17(11-16)20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyJXSFFVDASDWFOX-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.16
Rot. Bonds6

About N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide

N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide (PubChem CID 55749265) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
PubChem CID55749265
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC NameN-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide
SMILESCCC(C)NC(=O)c1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C20H21F3N2O2/c1-3-13(2)25-19(27)15-7-4-6-14(10-15)12-24-18(26)16-8-5-9-17(11-16)20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyJXSFFVDASDWFOX-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[(2S)-butan-2-yl]-3-[[[(2S)-2-methylbutanoyl]amino]methyl]benzamide
CID 94180645
N-butan-2-yl-4-[[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]methyl]benzamide
CID 111267103
3-[[(4-aminobenzoyl)amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119719732
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-5-fluoropyrimidine-2-carboxamide
CID 166272217
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N-butan-2-ylbenzamide;hydrochloride
CID 119287336
3-[(3-aminopropanoylamino)methyl]-N-butan-2-ylbenzamide
CID 119287321
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-butan-2-yl-3-[[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]methyl]benzamide;hydroiodide
CID 109472510
2-bromo-N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-4-fluorobenzamide
CID 47043729

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide?
The IUPAC name of N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide (CID 55749265) is N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide is CCC(C)NC(=O)c1cccc(CNC(=O)c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide?
The InChIKey is JXSFFVDASDWFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-3-13(2)25-19(27)15-7-4-6-14(10-15)12-24-18(26)16-8-5-9-17(11-16)20(21,22)23/h4-11,13H,3,12H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide?
N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 55749265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).