N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

C14H17F3N2O2 — CID 86976279

IUPACN-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-9(2)7-18-12(20)8-19-13(21)10-3-5-11(6-4-10)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBJTSUWXHUIYGLB-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 86976279) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID86976279
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c1-9(2)7-18-12(20)8-19-13(21)10-3-5-11(6-4-10)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyBJTSUWXHUIYGLB-UHFFFAOYSA-N
XLogP2.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
N-(2-methylpropyl)-N'-[4-(trifluoromethyl)phenyl]propanediamide
CID 108941680
methyl 4-[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]benzoate
CID 9413553
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
4-methyl-2-[[[4-(trifluoromethyl)benzoyl]amino]methyl]pentanoic acid
CID 119252785
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N-[2-(4-acetylanilino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 26681918
N-[2-[[(3R)-1-hydroxy-4,4-dimethylpentan-3-yl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 97260201

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 86976279) is N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is CC(C)CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is BJTSUWXHUIYGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9(2)7-18-12(20)8-19-13(21)10-3-5-11(6-4-10)14(15,16)17/h3-6,9H,7-8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 302.30 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 86976279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).