2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide

C15H15ClF3N3O — CID 37479013

IUPAC2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C15H15ClF3N3O/c16-12-4-3-10(7-11(12)15(17,18)19)21-8-13(23)22-14(9-20)5-1-2-6-14/h3-4,7,21H,1-2,5-6,8H2,(H,22,23)
InChIKeyXVFLEQCSUROQJM-UHFFFAOYSA-N
MW345.75 g/mol
LogP3.72
Rot. Bonds4

About 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide

2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide (PubChem CID 37479013) has the molecular formula C15H15ClF3N3O and a molecular weight of 345.75 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
PubChem CID37479013
Molecular FormulaC15H15ClF3N3O
Molecular Weight345.75 g/mol
Exact Mass345.09
IUPAC Name2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C15H15ClF3N3O/c16-12-4-3-10(7-11(12)15(17,18)19)21-8-13(23)22-14(9-20)5-1-2-6-14/h3-4,7,21H,1-2,5-6,8H2,(H,22,23)
InChIKeyXVFLEQCSUROQJM-UHFFFAOYSA-N
XLogP3.72
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.75
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[[2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methylamino]acetamide
CID 38357458
methyl 2-chloro-5-[[2-[(1-cyanocyclohexyl)amino]-2-oxoethyl]amino]benzoate
CID 37230490
2-(4-chloro-3-nitroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 37478786
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
2-(4-cyanoanilino)-N-(1-cyanocyclopentyl)acetamide
CID 26507758
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-N-(1-cyanocyclopentyl)acetamide
CID 2471662
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[(2S)-2-cyano-3-methylbutan-2-yl]acetamide
CID 51883684
2-chloro-4-[[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl]amino]-N-(2-methylpropyl)benzamide
CID 47064262
2-(3-chloro-2-fluoroanilino)-N-(1-cyanocyclohexyl)acetamide
CID 33164628
2-[4-chloro-3-(trifluoromethyl)anilino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 109009821
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(4-fluorophenyl)acetamide
CID 26438653
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide (CID 37479013) is 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is XVFLEQCSUROQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O/c16-12-4-3-10(7-11(12)15(17,18)19)21-8-13(23)22-14(9-20)5-1-2-6-14/h3-4,7,21H,1-2,5-6,8H2,(H,22,23).
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide?
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 345.75 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)anilino]-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 37479013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).