3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide

C19H25F3N2O2 — CID 113130347

IUPAC3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c1-14(25)24(17-11-7-6-10-16(17)19(20,21)22)13-12-18(26)23-15-8-4-2-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,23,26)
InChIKeyKNCUBOYCTMDOMU-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.29
Rot. Bonds5

About 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide

3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide (PubChem CID 113130347) has the molecular formula C19H25F3N2O2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide.

Molecular Properties

Compound Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
PubChem CID113130347
Molecular FormulaC19H25F3N2O2
Molecular Weight370.42 g/mol
Exact Mass370.19
IUPAC Name3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide
SMILESCC(=O)N(CCC(=O)NC1CCCCCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C19H25F3N2O2/c1-14(25)24(17-11-7-6-10-16(17)19(20,21)22)13-12-18(26)23-15-8-4-2-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,23,26)
InChIKeyKNCUBOYCTMDOMU-UHFFFAOYSA-N
XLogP4.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-tert-butylanilino)-N-cycloheptylpropanamide
CID 113126424
3-(N-acetylanilino)-N-cyclohexylpropanamide
CID 113123341
2-(N-acetyl-2-tert-butylanilino)-N-cycloheptylacetamide
CID 113170454
2-(N-acetyl-2-tert-butylanilino)-N-cyclopentylacetamide
CID 113170397
N-cyclopropyl-3-[N-methylsulfonyl-2-(trifluoromethyl)anilino]propanamide
CID 113145210
3-(N-acetyl-2-ethylanilino)-N-cyclopropylpropanamide
CID 113125154
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-butan-2-ylpropanamide
CID 113130303
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cyclohexylacetamide
CID 113179338
2-[N-acetyl-4-chloro-2-(trifluoromethyl)anilino]-N-cycloheptylacetamide
CID 113179362
3-(N-acetyl-2-morpholin-4-ylanilino)-N-cyclohexylpropanamide
CID 113132158
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-pentylpropanamide
CID 113130349
3-(N-acetyl-2,4-difluoroanilino)-N-cyclopentylpropanamide
CID 113133398

Frequently Asked Questions

What is the IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide?
The IUPAC name of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide (CID 113130347) is 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide.
What is the SMILES notation for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide?
The canonical SMILES for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide is CC(=O)N(CCC(=O)NC1CCCCCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide?
The InChIKey is KNCUBOYCTMDOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O2/c1-14(25)24(17-11-7-6-10-16(17)19(20,21)22)13-12-18(26)23-15-8-4-2-3-5-9-15/h6-7,10-11,15H,2-5,8-9,12-13H2,1H3,(H,23,26).
What are the key properties of 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide?
3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide has a molecular weight of 370.42 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-acetyl-2-(trifluoromethyl)anilino]-N-cycloheptylpropanamide is sourced from PubChem (CID 113130347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).