1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide

C15H16ClF3N2O3 — CID 108972828

IUPAC1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCNC(=O)C1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16ClF3N2O3/c1-24-7-6-20-12(22)14(4-5-14)13(23)21-9-2-3-11(16)10(8-9)15(17,18)19/h2-3,8H,4-7H2,1H3,(H,20,22)(H,21,23)
InChIKeyALXMHBVBHHTARA-UHFFFAOYSA-N
MW364.75 g/mol
LogP2.84
Rot. Bonds6

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

1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972828) has the molecular formula C15H16ClF3N2O3 and a molecular weight of 364.75 g/mol. Its IUPAC name is 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
PubChem CID108972828
Molecular FormulaC15H16ClF3N2O3
Molecular Weight364.75 g/mol
Exact Mass364.08
IUPAC Name1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
SMILESCOCCNC(=O)C1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C15H16ClF3N2O3/c1-24-7-6-20-12(22)14(4-5-14)13(23)21-9-2-3-11(16)10(8-9)15(17,18)19/h2-3,8H,4-7H2,1H3,(H,20,22)(H,21,23)
InChIKeyALXMHBVBHHTARA-UHFFFAOYSA-N
XLogP2.84
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.75
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(pyridin-2-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976751
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972109
6-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109153089
1-N'-(2,3-dichlorophenyl)-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide
CID 108972836
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166847
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
1-N-butyl-1-N'-(3-chloro-4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108971097
4-(aminomethyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120917692
1-N-(2-methoxyethyl)-1-N'-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108972761
1-N'-[2-chloro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-1-N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 154633283
N-[4-chloro-3-(trifluoromethyl)phenyl]-2,2-dimethyl-N'-propylpropanediamide
CID 108957147

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide (CID 108972828) is 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide is COCCNC(=O)C1(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is ALXMHBVBHHTARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClF3N2O3/c1-24-7-6-20-12(22)14(4-5-14)13(23)21-9-2-3-11(16)10(8-9)15(17,18)19/h2-3,8H,4-7H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide?
1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 364.75 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-chloro-3-(trifluoromethyl)phenyl]-1-N-(2-methoxyethyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).