(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide

C19H21F3N2O3 — CID 9169420

IUPAC(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1OC
InChIInChI=1S/C19H21F3N2O3/c1-11(19(25)23-14-9-8-13(20)16(21)17(14)22)24(2)10-12-6-5-7-15(26-3)18(12)27-4/h5-9,11H,10H2,1-4H3,(H,23,25)/t11-/m1/s1
InChIKeyOEBLKBFIVVHWQQ-LLVKDONJSA-N
MW382.38 g/mol
LogP3.58
Rot. Bonds7

About (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 9169420) has the molecular formula C19H21F3N2O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID9169420
Molecular FormulaC19H21F3N2O3
Molecular Weight382.38 g/mol
Exact Mass382.15
IUPAC Name(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1OC
InChIInChI=1S/C19H21F3N2O3/c1-11(19(25)23-14-9-8-13(20)16(21)17(14)22)24(2)10-12-6-5-7-15(26-3)18(12)27-4/h5-9,11H,10H2,1-4H3,(H,23,25)/t11-/m1/s1
InChIKeyOEBLKBFIVVHWQQ-LLVKDONJSA-N
XLogP3.58
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 24506925
(2S)-2-[(4-methoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2574471
(2R)-2-[(2-fluorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)propanamide
CID 8517845
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]propanamide
CID 46630581
(2R)-2-[(3-chlorophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9251072
N-(4-bromo-2-fluorophenyl)-2-[(2-methoxyphenyl)methyl-methylamino]propanamide
CID 18094027
2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 42913829
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2,3,4-trimethoxybenzoate
CID 7758496
(2S)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 2439515
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8712385
(2R)-2-[methyl(2-phenoxyethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 8797312
(2S)-2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9102269

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide (CID 9169420) is (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide is COc1cccc(CN(C)[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1OC.
What is the InChIKey of (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is OEBLKBFIVVHWQQ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H21F3N2O3/c1-11(19(25)23-14-9-8-13(20)16(21)17(14)22)24(2)10-12-6-5-7-15(26-3)18(12)27-4/h5-9,11H,10H2,1-4H3,(H,23,25)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 382.38 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 9169420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).