2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone

C19H20Cl2N2O — CID 12884237

IUPAC2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N1CCCCC1
InChIInChI=1S/C19H20Cl2N2O/c20-15-8-6-9-16(21)19(15)22-17-10-3-2-7-14(17)13-18(24)23-11-4-1-5-12-23/h2-3,6-10,22H,1,4-5,11-13H2
InChIKeyPMSGFXZFCFAQJP-UHFFFAOYSA-N
MW363.29 g/mol
LogP5.29
Rot. Bonds4

About 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone

2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone (PubChem CID 12884237) has the molecular formula C19H20Cl2N2O and a molecular weight of 363.29 g/mol. Its IUPAC name is 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone
PubChem CID12884237
Molecular FormulaC19H20Cl2N2O
Molecular Weight363.29 g/mol
Exact Mass362.10
IUPAC Name2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N1CCCCC1
InChIInChI=1S/C19H20Cl2N2O/c20-15-8-6-9-16(21)19(15)22-17-10-3-2-7-14(17)13-18(24)23-11-4-1-5-12-23/h2-3,6-10,22H,1,4-5,11-13H2
InChIKeyPMSGFXZFCFAQJP-UHFFFAOYSA-N
XLogP5.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.29
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2-[2-(2,6-dichloroanilino)phenyl]-1-(1-methylpiperidin-1-ium-1-yl)ethanone
CID 20575581
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
3-(azepan-1-yl)-N-(2,6-dichlorophenyl)-3-oxopropanamide
CID 108952754
N-(2,6-dichlorophenyl)-3-oxo-3-piperidin-1-ylpropanamide
CID 108942484
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663
3-(2,6-dichloroanilino)-1-piperidin-1-ylpropan-1-one
CID 109013917
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;morpholine
CID 13042167
3,3-dimethylbutyl 1-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]pyrrolidine-2-carboxylate
CID 140934844
2-[2-[2-[2-(2,6-dichloroanilino)phenyl]acetyl]oxyethoxy]ethyl 2-[2-(2,6-dichloroanilino)phenyl]acetate
CID 59981465
1-aminoethanol;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrochloride
CID 86623054

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone (CID 12884237) is 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone is O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)N1CCCCC1.
What is the InChIKey of 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone?
The InChIKey is PMSGFXZFCFAQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O/c20-15-8-6-9-16(21)19(15)22-17-10-3-2-7-14(17)13-18(24)23-11-4-1-5-12-23/h2-3,6-10,22H,1,4-5,11-13H2.
What are the key properties of 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone?
2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone has a molecular weight of 363.29 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dichloroanilino)phenyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 12884237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).