2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol

C15H13BrCl2FNO — CID 63427998

IUPAC2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Br)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2FNO/c1-15(8-21,20-14-5-3-2-4-10(14)16)9-6-13(19)12(18)7-11(9)17/h2-7,20-21H,8H2,1H3
InChIKeyYCYZKTAHPIXDLV-UHFFFAOYSA-N
MW393.08 g/mol
LogP5.21
Rot. Bonds4

About 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol

2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol (PubChem CID 63427998) has the molecular formula C15H13BrCl2FNO and a molecular weight of 393.08 g/mol. Its IUPAC name is 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
PubChem CID63427998
Molecular FormulaC15H13BrCl2FNO
Molecular Weight393.08 g/mol
Exact Mass390.95
IUPAC Name2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
SMILESCC(CO)(Nc1ccccc1Br)c1cc(F)c(Cl)cc1Cl
InChIInChI=1S/C15H13BrCl2FNO/c1-15(8-21,20-14-5-3-2-4-10(14)16)9-6-13(19)12(18)7-11(9)17/h2-7,20-21H,8H2,1H3
InChIKeyYCYZKTAHPIXDLV-UHFFFAOYSA-N
XLogP5.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.08
LogP ≤ 55.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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-bromoanilino)-2-(3,4-difluorophenyl)propan-1-ol
CID 61050433
2-(3-bromo-4-fluorophenyl)-2-(2-chloroanilino)propan-1-ol
CID 62914828
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-(2,5-dichlorophenyl)-2-(2-methoxyanilino)propan-1-ol
CID 61048485
2-amino-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol
CID 61056644
2-(2-bromophenyl)-2-(3-fluoro-5-methylanilino)propan-1-ol
CID 79049467
2-(2,4-dimethylphenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049729
2-(2-chloroanilino)-2-(4-chlorophenyl)propan-1-ol
CID 61050132
2-(2,6-difluorophenyl)-2-(2-fluoroanilino)propan-1-ol
CID 61049920

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol?
The IUPAC name of 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol (CID 63427998) is 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol.
What is the SMILES notation for 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol?
The canonical SMILES for 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol is CC(CO)(Nc1ccccc1Br)c1cc(F)c(Cl)cc1Cl.
What is the InChIKey of 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol?
The InChIKey is YCYZKTAHPIXDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2FNO/c1-15(8-21,20-14-5-3-2-4-10(14)16)9-6-13(19)12(18)7-11(9)17/h2-7,20-21H,8H2,1H3.
What are the key properties of 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol?
2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol has a molecular weight of 393.08 g/mol, XLogP of 5.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-2-(2,4-dichloro-5-fluorophenyl)propan-1-ol is sourced from PubChem (CID 63427998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).