(2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide

C18H17F3N2O4 — CID 7704240

IUPAC(2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cccc(/C=N\O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1OC
InChIInChI=1S/C18H17F3N2O4/c1-10(18(24)23-13-8-7-12(19)15(20)16(13)21)27-22-9-11-5-4-6-14(25-2)17(11)26-3/h4-10H,1-3H3,(H,23,24)/b22-9-/t10-/m1/s1
InChIKeyBTDDQLMXINQAAX-SVTCXGMLSA-N
MW382.34 g/mol
LogP3.50
Rot. Bonds7

About (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide

(2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide (PubChem CID 7704240) has the molecular formula C18H17F3N2O4 and a molecular weight of 382.34 g/mol. Its IUPAC name is (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide
PubChem CID7704240
Molecular FormulaC18H17F3N2O4
Molecular Weight382.34 g/mol
Exact Mass382.11
IUPAC Name(2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide
SMILESCOc1cccc(/C=N\O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1OC
InChIInChI=1S/C18H17F3N2O4/c1-10(18(24)23-13-8-7-12(19)15(20)16(13)21)27-22-9-11-5-4-6-14(25-2)17(11)26-3/h4-10H,1-3H3,(H,23,24)/b22-9-/t10-/m1/s1
InChIKeyBTDDQLMXINQAAX-SVTCXGMLSA-N
XLogP3.50
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxypropanamide
CID 7704145
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2,3,4-trimethoxybenzoate
CID 7758496
(2R)-2-[(Z)-(4-bromophenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide
CID 7702302
(2R)-N-(2-fluorophenyl)-2-[(Z)-(3,4,5-trimethoxyphenyl)methylideneamino]oxypropanamide
CID 7919078
2-[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,1-dioxothiolan-3-yl)propanamide
CID 55435641
2-methoxy-N-(2,3,4-trifluorophenyl)propanamide
CID 112685527
1-[2-(2,3-dimethoxyphenoxy)ethyl]-3-(2,3,4-trifluorophenyl)urea
CID 112975591
(2R)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9169420
(2R)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703394
(2S)-N-(2,4-dichlorophenyl)-2-[(Z)-(2-fluorophenyl)methylideneamino]oxypropanamide
CID 7703391
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 8913382
[(2R)-1-oxo-1-(2,3,4-trifluoroanilino)propan-2-yl] 2,4,5-trimethoxybenzoate
CID 7394955

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide?
The IUPAC name of (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide (CID 7704240) is (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide?
The canonical SMILES for (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide is COc1cccc(/C=N\O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1OC.
What is the InChIKey of (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide?
The InChIKey is BTDDQLMXINQAAX-SVTCXGMLSA-N. The full InChI is InChI=1S/C18H17F3N2O4/c1-10(18(24)23-13-8-7-12(19)15(20)16(13)21)27-22-9-11-5-4-6-14(25-2)17(11)26-3/h4-10H,1-3H3,(H,23,24)/b22-9-/t10-/m1/s1.
What are the key properties of (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide?
(2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide has a molecular weight of 382.34 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2,3,4-trifluorophenyl)propanamide is sourced from PubChem (CID 7704240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).