2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide

C20H21F3N2O2 — CID 24503498

IUPAC2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-14-5-3-4-6-17(14)19(27)24-12-11-18(26)25(2)13-15-7-9-16(10-8-15)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27)
InChIKeyLHNMFUAILLTJSI-UHFFFAOYSA-N
MW378.39 g/mol
LogP3.79
Rot. Bonds6

About 2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide

2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide (PubChem CID 24503498) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
PubChem CID24503498
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H21F3N2O2/c1-14-5-3-4-6-17(14)19(27)24-12-11-18(26)25(2)13-15-7-9-16(10-8-15)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27)
InChIKeyLHNMFUAILLTJSI-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-[[2-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide
CID 55549814
N-methyl-3-(propan-2-ylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 61259107
N-[2-[benzyl(methyl)amino]-2-oxoethyl]-2-methylbenzamide
CID 51160864
2-methyl-N-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]ethylamino]ethyl]benzamide
CID 51162268
N-[3-(N-benzylanilino)-3-oxopropyl]-2-methylbenzamide
CID 18090249
N-[3-[[4-[(dimethylamino)methyl]phenyl]methylamino]-3-oxopropyl]-2-methylbenzamide
CID 8533527
6-acetamido-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexanamide
CID 112791738
N-methyl-3-phenoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 112791829
N-[3-[(4-bromophenyl)methyl-methylamino]-3-oxopropyl]benzamide
CID 30877774
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropanoic acid
CID 62231889
2-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 141132168
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-methylbenzamide
CID 51161257

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide (CID 24503498) is 2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)N(C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide?
The InChIKey is LHNMFUAILLTJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-14-5-3-4-6-17(14)19(27)24-12-11-18(26)25(2)13-15-7-9-16(10-8-15)20(21,22)23/h3-10H,11-13H2,1-2H3,(H,24,27).
What are the key properties of 2-methyl-N-[3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide?
2-methyl-N-[3-[methyl-[[4-(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-[[4-(trifluoromethyl)phenyl]methyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 24503498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).