1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide

C15H14ClF3N2O2 — CID 108970756

IUPAC1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C15H14ClF3N2O2/c16-8-1-4-11(10(7-8)15(17,18)19)21-13(23)14(5-6-14)12(22)20-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H,20,22)(H,21,23)
InChIKeyHHAQABJPPXJWAA-UHFFFAOYSA-N
MW346.74 g/mol
LogP3.36
Rot. Bonds4

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

1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide (PubChem CID 108970756) has the molecular formula C15H14ClF3N2O2 and a molecular weight of 346.74 g/mol. Its IUPAC name is 1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
PubChem CID108970756
Molecular FormulaC15H14ClF3N2O2
Molecular Weight346.74 g/mol
Exact Mass346.07
IUPAC Name1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
SMILESO=C(Nc1ccc(Cl)cc1C(F)(F)F)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C15H14ClF3N2O2/c16-8-1-4-11(10(7-8)15(17,18)19)21-13(23)14(5-6-14)12(22)20-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H,20,22)(H,21,23)
InChIKeyHHAQABJPPXJWAA-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.74
LogP ≤ 53.36
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'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108979418
1-N'-(5-chloro-2-methylphenyl)-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970699
1-N-butyl-1-N'-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108971149
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
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(cyclopropylamino)pyridine-3-carboxamide
CID 109151376
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(2,3-dihydro-1H-inden-2-yl)urea
CID 74226457
1-N'-(3-chlorophenyl)-1-N-cyclopentylcyclopropane-1,1-dicarboxamide
CID 108971860
1-N,1-N'-bis(2,5-dichlorophenyl)cyclopropane-1,1-dicarboxamide
CID 155683538
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
N-[4-chloro-2-(trifluoromethyl)phenyl]-2,2-difluoroacetamide
CID 103603473

Frequently Asked Questions

What is the IUPAC name of 1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide (CID 108970756) is 1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide is O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?
The InChIKey is HHAQABJPPXJWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N2O2/c16-8-1-4-11(10(7-8)15(17,18)19)21-13(23)14(5-6-14)12(22)20-9-2-3-9/h1,4,7,9H,2-3,5-6H2,(H,20,22)(H,21,23).
What are the key properties of 1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide?
1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide has a molecular weight of 346.74 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108970756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).