1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol

C16H17ClFNO — CID 62911155

IUPAC1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
SMILESCCN(c1ccc(F)cc1)c1ccc(C(C)O)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-19(14-7-5-13(18)6-8-14)16-9-4-12(11(2)20)10-15(16)17/h4-11,20H,3H2,1-2H3
InChIKeyQCKSBWOAKLBADW-UHFFFAOYSA-N
MW293.77 g/mol
LogP4.69
Rot. Bonds4

About 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol

1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol (PubChem CID 62911155) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
PubChem CID62911155
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol
SMILESCCN(c1ccc(F)cc1)c1ccc(C(C)O)cc1Cl
InChIInChI=1S/C16H17ClFNO/c1-3-19(14-7-5-13(18)6-8-14)16-9-4-12(11(2)20)10-15(16)17/h4-11,20H,3H2,1-2H3
InChIKeyQCKSBWOAKLBADW-UHFFFAOYSA-N
XLogP4.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol?
The IUPAC name of 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol (CID 62911155) is 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol.
What is the SMILES notation for 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol?
The canonical SMILES for 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol is CCN(c1ccc(F)cc1)c1ccc(C(C)O)cc1Cl.
What is the InChIKey of 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol?
The InChIKey is QCKSBWOAKLBADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-3-19(14-7-5-13(18)6-8-14)16-9-4-12(11(2)20)10-15(16)17/h4-11,20H,3H2,1-2H3.
What are the key properties of 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol?
1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol has a molecular weight of 293.77 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-(N-ethyl-4-fluoroanilino)phenyl]ethanol is sourced from PubChem (CID 62911155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).