1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

C19H17F3N2O3 — CID 109143378

IUPAC1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H17F3N2O3/c1-27-14-4-2-3-13(9-14)24-18(26)16-10-15(16)17(25)23-12-7-5-11(6-8-12)19(20,21)22/h2-9,15-16H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyBNHFGEWDJCPVDL-UHFFFAOYSA-N
MW378.35 g/mol
LogP3.93
Rot. Bonds5

About 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide

1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (PubChem CID 109143378) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
PubChem CID109143378
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
SMILESCOc1cccc(NC(=O)C2CC2C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H17F3N2O3/c1-27-14-4-2-3-13(9-14)24-18(26)16-10-15(16)17(25)23-12-7-5-11(6-8-12)19(20,21)22/h2-9,15-16H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyBNHFGEWDJCPVDL-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(4-ethylphenyl)-1-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142087
1-N-(3-fluorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143442
1-N-(2-methoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143314
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
2-N-[(2-methoxyphenyl)methyl]-1-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109136490
1-N-(4-tert-butylphenyl)-2-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109137929
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
cis-(1S,2R)-2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 40535923
1-N-propan-2-yl-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109130758
2-[[3-(trifluoromethyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 53270434
1-N-(2,5-dichlorophenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143403
1-N-(3-cyanophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143462

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The IUPAC name of 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide (CID 109143378) is 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The canonical SMILES for 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is COc1cccc(NC(=O)C2CC2C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
The InChIKey is BNHFGEWDJCPVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-27-14-4-2-3-13(9-14)24-18(26)16-10-15(16)17(25)23-12-7-5-11(6-8-12)19(20,21)22/h2-9,15-16H,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide?
1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide has a molecular weight of 378.35 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-methoxyphenyl)-2-N-[4-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide is sourced from PubChem (CID 109143378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).