1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol

C9H10BrClFNO — CID 118665853

IUPAC1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
SMILESOC(CCl)CNc1ccc(Br)c(F)c1
InChIInChI=1S/C9H10BrClFNO/c10-8-2-1-6(3-9(8)12)13-5-7(14)4-11/h1-3,7,13-14H,4-5H2
InChIKeyIMVLGVZWGGMQKX-UHFFFAOYSA-N
MW282.54 g/mol
LogP2.60
Rot. Bonds4

About 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol

1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol (PubChem CID 118665853) has the molecular formula C9H10BrClFNO and a molecular weight of 282.54 g/mol. Its IUPAC name is 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol.

Molecular Properties

Compound Name1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
PubChem CID118665853
Molecular FormulaC9H10BrClFNO
Molecular Weight282.54 g/mol
Exact Mass280.96
IUPAC Name1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
SMILESOC(CCl)CNc1ccc(Br)c(F)c1
InChIInChI=1S/C9H10BrClFNO/c10-8-2-1-6(3-9(8)12)13-5-7(14)4-11/h1-3,7,13-14H,4-5H2
InChIKeyIMVLGVZWGGMQKX-UHFFFAOYSA-N
XLogP2.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.54
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-bromo-3-fluoroanilino)-1-(2,4-difluorophenyl)ethanol
CID 65437921
(2R)-1-chloro-3-(4-fluoroanilino)propan-2-ol
CID 141225780
1-chloro-3-(4-fluoro-3-methoxyanilino)propan-2-ol
CID 168636388
5-[(3-chloro-2-hydroxypropyl)amino]-2-fluorobenzoic acid
CID 168636677
2-(4-bromo-3-fluoroanilino)-1-thiophen-2-ylethanol
CID 65435729
3-(4-bromo-3-fluoroanilino)-2-methylpropanenitrile
CID 65437513
2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol
CID 168636765
1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
CID 168637483
methyl 2-bromo-3-(4-bromo-3-fluoroanilino)propanoate
CID 103252659
1-chloro-3-[4-(3,5-dimethylpyrazol-1-yl)-3-fluoroanilino]propan-2-ol
CID 168639986
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
1-(4-bromo-3-chloro-2-fluoroanilino)-3-chloropropan-2-ol
CID 168636288

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol?
The IUPAC name of 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol (CID 118665853) is 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol.
What is the SMILES notation for 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol?
The canonical SMILES for 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol is OC(CCl)CNc1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol?
The InChIKey is IMVLGVZWGGMQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClFNO/c10-8-2-1-6(3-9(8)12)13-5-7(14)4-11/h1-3,7,13-14H,4-5H2.
What are the key properties of 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol?
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol has a molecular weight of 282.54 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol is sourced from PubChem (CID 118665853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).