2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone

C14H16ClF3N2O — CID 60694052

IUPAC2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1ccc(C(F)(F)F)cc1Cl)N1CCCCC1
InChIInChI=1S/C14H16ClF3N2O/c15-11-8-10(14(16,17)18)4-5-12(11)19-9-13(21)20-6-2-1-3-7-20/h4-5,8,19H,1-3,6-7,9H2
InChIKeyHDEPVBDPVYIPDA-UHFFFAOYSA-N
MW320.74 g/mol
LogP3.78
Rot. Bonds3

About 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone

2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone (PubChem CID 60694052) has the molecular formula C14H16ClF3N2O and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
PubChem CID60694052
Molecular FormulaC14H16ClF3N2O
Molecular Weight320.74 g/mol
Exact Mass320.09
IUPAC Name2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1ccc(C(F)(F)F)cc1Cl)N1CCCCC1
InChIInChI=1S/C14H16ClF3N2O/c15-11-8-10(14(16,17)18)4-5-12(11)19-9-13(21)20-6-2-1-3-7-20/h4-5,8,19H,1-3,6-7,9H2
InChIKeyHDEPVBDPVYIPDA-UHFFFAOYSA-N
XLogP3.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 71891929
2-(4-chloro-2-fluoroanilino)-1-pyrrolidin-1-ylethanone
CID 60631356
2-[[6-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]-1-piperidin-1-ylethanone
CID 102716148
2-(2,5-dichloroanilino)-1-piperidin-1-ylethanone
CID 28568208
3-[2-chloro-4-(trifluoromethyl)anilino]-2,2-dimethylpropanoic acid
CID 79623354
2-[[2-chloro-4-(trifluoromethyl)anilino]methyl]prop-2-enoic acid
CID 103250837
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
2-(2,4-difluoroanilino)-1-piperidin-1-ylethanone
CID 28582835
(Z)-4-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbut-2-enoic acid
CID 103250830
3-[[2-chloro-4-(trifluoromethyl)anilino]methyl]pentan-3-ol
CID 114493143
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone (CID 60694052) is 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone is O=C(CNc1ccc(C(F)(F)F)cc1Cl)N1CCCCC1.
What is the InChIKey of 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone?
The InChIKey is HDEPVBDPVYIPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O/c15-11-8-10(14(16,17)18)4-5-12(11)19-9-13(21)20-6-2-1-3-7-20/h4-5,8,19H,1-3,6-7,9H2.
What are the key properties of 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone?
2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone has a molecular weight of 320.74 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(trifluoromethyl)anilino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 60694052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).