2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol

C17H17ClFNO — CID 61049500

IUPAC2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol
SMILESOCC(Nc1cccc(F)c1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H17ClFNO/c18-14-8-6-13(7-9-14)17(11-21,12-4-5-12)20-16-3-1-2-15(19)10-16/h1-3,6-10,12,20-21H,4-5,11H2
InChIKeyZHZUDZQFQRXPFU-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.19
Rot. Bonds5

About 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol

2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol (PubChem CID 61049500) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol
PubChem CID61049500
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol
SMILESOCC(Nc1cccc(F)c1)(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H17ClFNO/c18-14-8-6-13(7-9-14)17(11-21,12-4-5-12)20-16-3-1-2-15(19)10-16/h1-3,6-10,12,20-21H,4-5,11H2
InChIKeyZHZUDZQFQRXPFU-UHFFFAOYSA-N
XLogP4.19
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-anilino-2-(4-chlorophenyl)-2-cyclopropylethanol
CID 61047502
2-(4-chlorophenyl)-2-cyclopropyl-2-(3-methylanilino)ethanol
CID 61048389
1-(4-chlorophenyl)-1-cyclopropylethane-1,2-diol
CID 82713245
2-(4-chlorophenyl)-2-cyclopropyl-2-[2-(diethylamino)ethylamino]ethanol
CID 61047828
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(3-fluorophenyl)urea
CID 111976013
2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61047742
2-(3-fluoroanilino)-2-phenylbutan-1-ol
CID 61048101
2-(3-fluoroanilino)-2,4-dimethylpentan-1-ol
CID 61048497
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-(3-fluorophenyl)-3-[[3-[[(3-fluorophenyl)carbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835568

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol?
The IUPAC name of 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol (CID 61049500) is 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol.
What is the SMILES notation for 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol?
The canonical SMILES for 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol is OCC(Nc1cccc(F)c1)(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol?
The InChIKey is ZHZUDZQFQRXPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c18-14-8-6-13(7-9-14)17(11-21,12-4-5-12)20-16-3-1-2-15(19)10-16/h1-3,6-10,12,20-21H,4-5,11H2.
What are the key properties of 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol?
2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol has a molecular weight of 305.78 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-cyclopropyl-2-(3-fluoroanilino)ethanol is sourced from PubChem (CID 61049500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).