N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

C14H15Cl2F3N2O — CID 171691104

IUPACN-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(F)(F)F)C1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2F3N2O/c15-11-4-3-10(6-12(11)16)20-13(22)8-21-5-1-2-9(7-21)14(17,18)19/h3-4,6,9H,1-2,5,7-8H2,(H,20,22)
InChIKeyNTCCPCPMKTXKHC-UHFFFAOYSA-N
MW355.19 g/mol
LogP4.21
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide

N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (PubChem CID 171691104) has the molecular formula C14H15Cl2F3N2O and a molecular weight of 355.19 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
PubChem CID171691104
Molecular FormulaC14H15Cl2F3N2O
Molecular Weight355.19 g/mol
Exact Mass354.05
IUPAC NameN-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
SMILESO=C(CN1CCCC(C(F)(F)F)C1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H15Cl2F3N2O/c15-11-4-3-10(6-12(11)16)20-13(22)8-21-5-1-2-9(7-21)14(17,18)19/h3-4,6,9H,1-2,5,7-8H2,(H,20,22)
InChIKeyNTCCPCPMKTXKHC-UHFFFAOYSA-N
XLogP4.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.19
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dichlorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62545984
N-(5-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801664
N-(2,3-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801707
N,N-dimethyl-4-[[2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 27223796
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 25329580
1-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 16909974
N-(3-chloro-4-fluorophenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642472
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 40952874
N-(3,4-dichlorophenyl)-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942370
N-(2-methoxyphenyl)-4-[[2-[3-(trifluoromethyl)piperidin-1-yl]acetyl]amino]benzamide
CID 46801583
ethyl 1-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]piperidine-3-carboxylate
CID 16554734
N-(2-benzoylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27224348

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide (CID 171691104) is N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is O=C(CN1CCCC(C(F)(F)F)C1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
The InChIKey is NTCCPCPMKTXKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F3N2O/c15-11-4-3-10(6-12(11)16)20-13(22)8-21-5-1-2-9(7-21)14(17,18)19/h3-4,6,9H,1-2,5,7-8H2,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide?
N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide has a molecular weight of 355.19 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 171691104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).