2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide

C19H17F3N2O3 — CID 109136641

IUPAC2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CC2C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C19H17F3N2O3/c1-27-11-4-2-10(3-5-11)9-23-18(25)12-8-13(12)19(26)24-15-7-6-14(20)16(21)17(15)22/h2-7,12-13H,8-9H2,1H3,(H,23,25)(H,24,26)
InChIKeyVCTVRLTZTDFLPB-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.00
Rot. Bonds6

About 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide

2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (PubChem CID 109136641) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
PubChem CID109136641
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CC2C(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C19H17F3N2O3/c1-27-11-4-2-10(3-5-11)9-23-18(25)12-8-13(12)19(26)24-15-7-6-14(20)16(21)17(15)22/h2-7,12-13H,8-9H2,1H3,(H,23,25)(H,24,26)
InChIKeyVCTVRLTZTDFLPB-UHFFFAOYSA-N
XLogP3.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(2,4-dichlorophenyl)-2-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136631
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198
2-N-(2-methoxyethyl)-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109133081
1-N-(2-ethylphenyl)-2-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109136575
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylcyclopropane-1,2-dicarboxamide
CID 109136562
2-N-benzyl-1-N-(2,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109135078
cis-(1S,2R)-N-[(4-methoxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 7772441
1-N-(2,4-dimethoxyphenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137267
2-N-butyl-1-N-[(4-methoxyphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109131241
1-N-tert-butyl-2-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide
CID 109139689
1-N-(2,4-dimethoxyphenyl)-2-N-[(3-methylphenyl)methyl]cyclopropane-1,2-dicarboxamide
CID 109135389
methyl 4-[[2-[(4-fluorophenyl)methylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109136126

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide (CID 109136641) is 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is COc1ccc(CNC(=O)C2CC2C(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
The InChIKey is VCTVRLTZTDFLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-27-11-4-2-10(3-5-11)9-23-18(25)12-8-13(12)19(26)24-15-7-6-14(20)16(21)17(15)22/h2-7,12-13H,8-9H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide?
2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-1-N-(2,3,4-trifluorophenyl)cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109136641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).