2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol

C15H14BrClFNO — CID 62914828

IUPAC2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c1-15(9-20,10-6-7-13(18)11(16)8-10)19-14-5-3-2-4-12(14)17/h2-8,19-20H,9H2,1H3
InChIKeyZDQUHPHXIXGYEZ-UHFFFAOYSA-N
MW358.64 g/mol
LogP4.56
Rot. Bonds4

About 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol

2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol (PubChem CID 62914828) has the molecular formula C15H14BrClFNO and a molecular weight of 358.64 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
PubChem CID62914828
Molecular FormulaC15H14BrClFNO
Molecular Weight358.64 g/mol
Exact Mass356.99
IUPAC Name2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C15H14BrClFNO/c1-15(9-20,10-6-7-13(18)11(16)8-10)19-14-5-3-2-4-12(14)17/h2-8,19-20H,9H2,1H3
InChIKeyZDQUHPHXIXGYEZ-UHFFFAOYSA-N
XLogP4.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.64
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(3-bromo-4-fluorophenyl)-2-(4-chloroanilino)propan-1-ol
CID 62913164
2-(2-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
CID 61050433
4-[2-(2-chloroanilino)-1-hydroxypropan-2-yl]phenol
CID 61047734
2-(2-chloroanilino)-2-(2,5-difluorophenyl)propan-1-ol
CID 61049535
2-(2-chloroanilino)-2-(2,6-difluorophenyl)propan-1-ol
CID 61049935
2-(2-chloroanilino)-2-(4-methoxyphenyl)propan-1-ol
CID 61050529
2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 63427998
2-(2-bromoanilino)-2-(2,5-dichlorophenyl)propan-1-ol
CID 63428524
2-(4-bromo-2-chlorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 82779756
2-(2-chloroanilino)-2-(5-fluoro-2-pyridinyl)propan-1-ol
CID 83126820
2-(2-chloroanilino)-2-(3-chloro-4-fluorophenyl)propanamide
CID 60996580

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol (CID 62914828) is 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol is CC(CO)(Nc1ccccc1Cl)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol?
The InChIKey is ZDQUHPHXIXGYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFNO/c1-15(9-20,10-6-7-13(18)11(16)8-10)19-14-5-3-2-4-12(14)17/h2-8,19-20H,9H2,1H3.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol?
2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol has a molecular weight of 358.64 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol is sourced from PubChem (CID 62914828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).