2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol

C15H14ClF2NO — CID 61047742

IUPAC2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1cccc(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NO/c1-15(9-20,13-8-11(17)5-6-14(13)18)19-12-4-2-3-10(16)7-12/h2-8,19-20H,9H2,1H3
InChIKeyGHCSYJCYGIRZRD-UHFFFAOYSA-N
MW297.73 g/mol
LogP3.94
Rot. Bonds4

About 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol

2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol (PubChem CID 61047742) has the molecular formula C15H14ClF2NO and a molecular weight of 297.73 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
PubChem CID61047742
Molecular FormulaC15H14ClF2NO
Molecular Weight297.73 g/mol
Exact Mass297.07
IUPAC Name2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1cccc(Cl)c1)c1cc(F)ccc1F
InChIInChI=1S/C15H14ClF2NO/c1-15(9-20,13-8-11(17)5-6-14(13)18)19-12-4-2-3-10(16)7-12/h2-8,19-20H,9H2,1H3
InChIKeyGHCSYJCYGIRZRD-UHFFFAOYSA-N
XLogP3.94
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.73
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-fluorophenyl)-2-(3-chloroanilino)propan-1-ol
CID 82972810
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
2-(4-fluoroanilino)-2-(2-fluorophenyl)propan-1-ol
CID 61048560
2-(3-chloroanilino)-2-(2,4-difluorophenyl)propanamide
CID 60996710
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanol
CID 62802085
2-(4-bromophenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61048694
2-(3,4-dimethylphenyl)-2-(3-fluoroanilino)propan-1-ol
CID 61047714
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
2-(3-bromoanilino)-2-(3-fluorophenyl)propan-1-ol
CID 61048867
1-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 55120933
2-(4-fluoroanilino)-2-(2-methylphenyl)propan-1-ol
CID 61047955
2-(2,4-difluorophenyl)-2-(4-methoxyanilino)propan-1-ol
CID 61045474

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol?
The IUPAC name of 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol (CID 61047742) is 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol?
The canonical SMILES for 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol is CC(CO)(Nc1cccc(Cl)c1)c1cc(F)ccc1F.
What is the InChIKey of 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol?
The InChIKey is GHCSYJCYGIRZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2NO/c1-15(9-20,13-8-11(17)5-6-14(13)18)19-12-4-2-3-10(16)7-12/h2-8,19-20H,9H2,1H3.
What are the key properties of 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol?
2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol has a molecular weight of 297.73 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol is sourced from PubChem (CID 61047742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).