2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide

C18H22ClF3N2O2 — CID 113179362

IUPAC2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H22ClF3N2O2/c1-12(25)24(11-17(26)23-14-6-4-2-3-5-7-14)16-9-8-13(19)10-15(16)18(20,21)22/h8-10,14H,2-7,11H2,1H3,(H,23,26)
InChIKeyHVXHWXRRMCJPQD-UHFFFAOYSA-N
MW390.83 g/mol
LogP4.55
Rot. Bonds4

About 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide

2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide (PubChem CID 113179362) has the molecular formula C18H22ClF3N2O2 and a molecular weight of 390.83 g/mol. Its IUPAC name is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
PubChem CID113179362
Molecular FormulaC18H22ClF3N2O2
Molecular Weight390.83 g/mol
Exact Mass390.13
IUPAC Name2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
SMILESCC(=O)N(CC(=O)NC1CCCCCC1)c1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C18H22ClF3N2O2/c1-12(25)24(11-17(26)23-14-6-4-2-3-5-7-14)16-9-8-13(19)10-15(16)18(20,21)22/h8-10,14H,2-7,11H2,1H3,(H,23,26)
InChIKeyHVXHWXRRMCJPQD-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.83
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylacetamide
CID 113179338
N-[4-chloro-2-(trifluoromethyl)phenyl]-N-(2-oxo-2-piperidin-1-ylethyl)acetamide
CID 113179337
2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
CID 113170454
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-methoxyethyl)acetamide
CID 113179340
2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
CID 113170397
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
CID 113130347
2-(N-acetyl-2,6-difluoroanilino)-N-cycloheptylacetamide
CID 113181443
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 113179388
2-(N-acetyl-3-chloro-4-methylanilino)-N-cycloheptylacetamide
CID 113172228
3-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(oxolan-2-ylmethyl)propanamide
CID 113133699
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-(pyridin-3-ylmethyl)acetamide
CID 113179357
2-(N-acetyl-2,3-dimethylanilino)-N-cycloheptylacetamide
CID 113168893

Frequently Asked Questions

What is the IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide?
The IUPAC name of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide (CID 113179362) is 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide is CC(=O)N(CC(=O)NC1CCCCCC1)c1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide?
The InChIKey is HVXHWXRRMCJPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF3N2O2/c1-12(25)24(11-17(26)23-14-6-4-2-3-5-7-14)16-9-8-13(19)10-15(16)18(20,21)22/h8-10,14H,2-7,11H2,1H3,(H,23,26).
What are the key properties of 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide?
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide has a molecular weight of 390.83 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide is sourced from PubChem (CID 113179362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).