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

C16H18ClF3N2O2 — CID 108979418

IUPAC1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)NC(=O)C1(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C16H18ClF3N2O2/c1-14(2,3)22-13(24)15(6-7-15)12(23)21-11-5-4-9(17)8-10(11)16(18,19)20/h4-5,8H,6-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRBFKEDDFKXYQNN-UHFFFAOYSA-N
MW362.78 g/mol
LogP3.99
Rot. Bonds3

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

1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide (PubChem CID 108979418) has the molecular formula C16H18ClF3N2O2 and a molecular weight of 362.78 g/mol. Its IUPAC name is 1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
PubChem CID108979418
Molecular FormulaC16H18ClF3N2O2
Molecular Weight362.78 g/mol
Exact Mass362.10
IUPAC Name1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
SMILESCC(C)(C)NC(=O)C1(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1
InChIInChI=1S/C16H18ClF3N2O2/c1-14(2,3)22-13(24)15(6-7-15)12(23)21-11-5-4-9(17)8-10(11)16(18,19)20/h4-5,8H,6-7H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRBFKEDDFKXYQNN-UHFFFAOYSA-N
XLogP3.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970756
1-N-butyl-1-N'-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108971149
1-tert-butyl-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 108896918
1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 60866502
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 4135962
1-N-(4-chloro-2-methylphenyl)-1-N'-(5-chloro-2-methylphenyl)cyclopropane-1,1-dicarboxamide
CID 108982681
1-N'-tert-butyl-1-N-[(4-chlorophenyl)methyl]cyclopropane-1,1-dicarboxamide
CID 108976064
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-methoxy-2-methylpropanamide
CID 103029050
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,3,3-trifluoro-2-hydroxy-2-methylpropanamide
CID 22287302
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2-methylphenyl)urea
CID 108894207

Frequently Asked Questions

What is the IUPAC name of 1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide (CID 108979418) is 1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide is CC(C)(C)NC(=O)C1(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
The InChIKey is RBFKEDDFKXYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF3N2O2/c1-14(2,3)22-13(24)15(6-7-15)12(23)21-11-5-4-9(17)8-10(11)16(18,19)20/h4-5,8H,6-7H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide?
1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide has a molecular weight of 362.78 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108979418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).