N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide

C15H20F3N3O2 — CID 32987501

IUPACN-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-10(2)7-20-14(23)11-5-3-4-6-12(11)19-8-13(22)21-9-15(16,17)18/h3-6,10,19H,7-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBMASIXKVPFUYAE-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.16
Rot. Bonds7

About N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide

N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide (PubChem CID 32987501) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
PubChem CID32987501
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NCC(=O)NCC(F)(F)F
InChIInChI=1S/C15H20F3N3O2/c1-10(2)7-20-14(23)11-5-3-4-6-12(11)19-8-13(22)21-9-15(16,17)18/h3-6,10,19H,7-9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyBMASIXKVPFUYAE-UHFFFAOYSA-N
XLogP2.16
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[2-[2-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 55446317
2-(2-propan-2-ylsulfanylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 75380587
2-[[2-(2-iodoanilino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 24583375
N-(2-methylpropyl)-2-[(2,2,2-trifluoroacetyl)amino]benzamide
CID 63374842
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 86911442
2-[[2-(3-acetamido-2-methylanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 34068641
2-[2-(morpholine-4-carbonyl)anilino]-N-(2,2,2-trifluoroethyl)acetamide
CID 32996630
2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 18105664
N-(2-methylpropyl)-2-[[2-(propan-2-ylamino)acetyl]amino]benzamide
CID 60683064
2-[[2-(4-bromoanilino)acetyl]amino]-N-(2-methylpropyl)benzamide
CID 26017539
2-[(4-tert-butylbenzoyl)amino]-N-(2-methylpropyl)benzamide
CID 1318988
N-(2-methylpropyl)-2-(2-propan-2-ylanilino)acetamide
CID 28573972

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide (CID 32987501) is N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide is CC(C)CNC(=O)c1ccccc1NCC(=O)NCC(F)(F)F.
What is the InChIKey of N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide?
The InChIKey is BMASIXKVPFUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10(2)7-20-14(23)11-5-3-4-6-12(11)19-8-13(22)21-9-15(16,17)18/h3-6,10,19H,7-9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide?
N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide has a molecular weight of 331.34 g/mol, XLogP of 2.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]benzamide is sourced from PubChem (CID 32987501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).