2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide

C20H21F3N2O2 — CID 55549814

IUPAC2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c1-14-7-3-5-9-16(14)19(27)24-12-11-18(26)25(2)13-15-8-4-6-10-17(15)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27)
InChIKeyLJQIEKSIRPZYRW-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.79
Rot. Bonds6

About 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide

2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide (PubChem CID 55549814) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
PubChem CID55549814
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H21F3N2O2/c1-14-7-3-5-9-16(14)19(27)24-12-11-18(26)25(2)13-15-8-4-6-10-17(15)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27)
InChIKeyLJQIEKSIRPZYRW-UHFFFAOYSA-N
XLogP3.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 24503498
N-[3-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylbenzamide
CID 9183634
N-methyl-2-(2-methylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 134047158
N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-3-(trifluoromethyl)benzamide
CID 79883906
4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 9369047
N-[2-[N-acetyl-2-(trifluoromethyl)anilino]ethyl]-2-methylbenzamide
CID 113061372
2-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 2236832
N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
CID 18090249
4-(4-fluoro-N-methylanilino)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]butanamide
CID 66679315
2-methyl-N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]benzamide
CID 134008685
3-(methanesulfonamido)-N,4-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 25335554
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide (CID 55549814) is 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide?
The InChIKey is LJQIEKSIRPZYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-14-7-3-5-9-16(14)19(27)24-12-11-18(26)25(2)13-15-8-4-6-10-17(15)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide?
2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 55549814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).