2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol

C16H17ClFNO — CID 114834181

IUPAC2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CO)(Cc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-16(11-20,10-12-6-8-13(18)9-7-12)19-15-5-3-2-4-14(15)17/h2-9,19-20H,10-11H2,1H3
InChIKeyUFXVVXVFXHCLGO-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.88
Rot. Bonds5

About 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol

2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 114834181) has the molecular formula C16H17ClFNO and a molecular weight of 293.77 g/mol. Its IUPAC name is 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
PubChem CID114834181
Molecular FormulaC16H17ClFNO
Molecular Weight293.77 g/mol
Exact Mass293.10
IUPAC Name2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CO)(Cc1ccc(F)cc1)Nc1ccccc1Cl
InChIInChI=1S/C16H17ClFNO/c1-16(11-20,10-12-6-8-13(18)9-7-12)19-15-5-3-2-4-14(15)17/h2-9,19-20H,10-11H2,1H3
InChIKeyUFXVVXVFXHCLGO-UHFFFAOYSA-N
XLogP3.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol
CID 114834228
2-(2-chloroanilino)-2-methylbutan-1-ol
CID 61047731
2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126820
3-(3-fluorophenyl)-2-methyl-2-(2-methylanilino)propan-1-ol
CID 114834179
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
2-(4-fluoroanilino)-3-(4-methoxyphenyl)-2-methylpropan-1-ol
CID 63271193
2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-(2-fluoroanilino)-3-(2-fluorophenyl)-2-methylpropan-1-ol
CID 114834230
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(2-chloroanilino)-2-(2-methoxyphenyl)propan-1-ol
CID 61049736
4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
CID 61047734
2-methyl-2-(2-methylanilino)propane-1,3-diol
CID 130509283

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol (CID 114834181) is 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol is CC(CO)(Cc1ccc(F)cc1)Nc1ccccc1Cl.
What is the InChIKey of 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is UFXVVXVFXHCLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFNO/c1-16(11-20,10-12-6-8-13(18)9-7-12)19-15-5-3-2-4-14(15)17/h2-9,19-20H,10-11H2,1H3.
What are the key properties of 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol?
2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 293.77 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-3-(4-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 114834181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).