N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide

C13H12ClF3N2O2 — CID 110687206

IUPACN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2O2/c14-8-3-4-10(9(5-8)13(15,16)17)19-11(20)6-18-12(21)7-1-2-7/h3-5,7H,1-2,6H2,(H,18,21)(H,19,20)
InChIKeyYTKMHLYTANQHOO-UHFFFAOYSA-N
MW320.70 g/mol
LogP2.82
Rot. Bonds4

About N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 110687206) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID110687206
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC NameN-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
SMILESO=C(CNC(=O)C1CC1)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C13H12ClF3N2O2/c14-8-3-4-10(9(5-8)13(15,16)17)19-11(20)6-18-12(21)7-1-2-7/h3-5,7H,1-2,6H2,(H,18,21)(H,19,20)
InChIKeyYTKMHLYTANQHOO-UHFFFAOYSA-N
XLogP2.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
CID 113001019
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-4-N-propan-2-ylcyclohexane-1,4-dicarboxamide
CID 109144626
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 113008466
N-[2-(2,4-dichloroanilino)-2-oxoethyl]oxane-4-carboxamide
CID 113001284
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]cyclobutanecarboxamide
CID 112998029
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3,5-difluoroanilino)acetamide
CID 35823651
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(trifluoromethyl)anilino]acetamide
CID 26437919
1-[4-chloro-2-(trifluoromethyl)phenyl]-3-(cyclopropylmethyl)urea
CID 3867881

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide (CID 110687206) is N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide is O=C(CNC(=O)C1CC1)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is YTKMHLYTANQHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c14-8-3-4-10(9(5-8)13(15,16)17)19-11(20)6-18-12(21)7-1-2-7/h3-5,7H,1-2,6H2,(H,18,21)(H,19,20).
What are the key properties of N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 320.70 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110687206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).