1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol

C14H12Cl3NO — CID 60900575

IUPAC1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
SMILESOC(CNc1cccc(Cl)c1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl3NO/c15-10-5-2-1-4-9(10)13(19)8-18-12-7-3-6-11(16)14(12)17/h1-7,13,18-19H,8H2
InChIKeyRYBVSRLDYNCAAG-UHFFFAOYSA-N
MW316.62 g/mol
LogP4.79
Rot. Bonds4

About 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol

1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol (PubChem CID 60900575) has the molecular formula C14H12Cl3NO and a molecular weight of 316.62 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol.

Molecular Properties

Compound Name1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
PubChem CID60900575
Molecular FormulaC14H12Cl3NO
Molecular Weight316.62 g/mol
Exact Mass315.00
IUPAC Name1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol
SMILESOC(CNc1cccc(Cl)c1Cl)c1ccccc1Cl
InChIInChI=1S/C14H12Cl3NO/c15-10-5-2-1-4-9(10)13(19)8-18-12-7-3-6-11(16)14(12)17/h1-7,13,18-19H,8H2
InChIKeyRYBVSRLDYNCAAG-UHFFFAOYSA-N
XLogP4.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-2-[2-(difluoromethylsulfanyl)anilino]ethanol
CID 60896352
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
2-(2-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107528287
1-(2-chlorophenyl)-2-(2,3,4-trifluoroanilino)ethanol
CID 60896928
(2S)-3-(2,3-dichloroanilino)propane-1,2-diol
CID 61143030
2-(2-bromo-4-chloroanilino)-1-(2-chlorophenyl)ethanol
CID 81271280
1-(2-chlorophenyl)-2-(hydroxyamino)ethanol
CID 82111679
2-(2-bromo-4-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60901352
2,3-dichloro-N-(2,2-difluoroethyl)aniline
CID 60921632
(1S)-2-(tert-butylamino)-1-(2-chlorophenyl)ethanol
CID 667686
1-[[2-(2-chlorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-ol
CID 65106313
2-(4-bromo-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60898079

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol?
The IUPAC name of 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol (CID 60900575) is 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol.
What is the SMILES notation for 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol?
The canonical SMILES for 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol is OC(CNc1cccc(Cl)c1Cl)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol?
The InChIKey is RYBVSRLDYNCAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3NO/c15-10-5-2-1-4-9(10)13(19)8-18-12-7-3-6-11(16)14(12)17/h1-7,13,18-19H,8H2.
What are the key properties of 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol?
1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol has a molecular weight of 316.62 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-2-(2,3-dichloroanilino)ethanol is sourced from PubChem (CID 60900575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).