1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol

C9H10BrCl2NO — CID 168636370

IUPAC1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol
SMILESOC(CCl)CNc1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H10BrCl2NO/c10-6-1-7(12)3-8(2-6)13-5-9(14)4-11/h1-3,9,13-14H,4-5H2
InChIKeySIMUTROHKIVAFP-UHFFFAOYSA-N
MW299.00 g/mol
LogP3.11
Rot. Bonds4

About 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol

1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol (PubChem CID 168636370) has the molecular formula C9H10BrCl2NO and a molecular weight of 299.00 g/mol. Its IUPAC name is 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol.

Molecular Properties

Compound Name1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol
PubChem CID168636370
Molecular FormulaC9H10BrCl2NO
Molecular Weight299.00 g/mol
Exact Mass296.93
IUPAC Name1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol
SMILESOC(CCl)CNc1cc(Cl)cc(Br)c1
InChIInChI=1S/C9H10BrCl2NO/c10-6-1-7(12)3-8(2-6)13-5-9(14)4-11/h1-3,9,13-14H,4-5H2
InChIKeySIMUTROHKIVAFP-UHFFFAOYSA-N
XLogP3.11
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.00
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-5-chloroanilino)butan-2-ol
CID 131187308
2,6-dibromo-4-[(3-chloro-2-hydroxypropyl)amino]phenol
CID 168636765
1-amino-3-(3,5-dichloroanilino)propan-2-ol
CID 82044189
1-(3-bromo-4-chloro-5-methylanilino)-3-chloropropan-2-ol
CID 168638620
1-(2-bromo-4-chloroanilino)-3-chloropropan-2-ol
CID 168640629
1-(5-bromo-3-chloro-2-fluoroanilino)-3-chloropropan-2-ol
CID 168640102
1-chloro-3-(3-chloro-4,5-difluoroanilino)propan-2-ol
CID 168637483
1-[3-bromo-5-[2,6-difluoro-4-(trifluoromethyl)phenoxy]anilino]-3-chloropropan-2-ol
CID 168640562
1-(3-bromo-5-chloro-4-ethoxyanilino)-3-chloropropan-2-ol
CID 168636791
1-(3,5-dichloroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 60897711
1-(4-bromo-3-fluoroanilino)-3-chloropropan-2-ol
CID 118665853
1-anilino-3-chloropropan-2-ol
CID 3640254

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol?
The IUPAC name of 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol (CID 168636370) is 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol.
What is the SMILES notation for 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol?
The canonical SMILES for 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol is OC(CCl)CNc1cc(Cl)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol?
The InChIKey is SIMUTROHKIVAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrCl2NO/c10-6-1-7(12)3-8(2-6)13-5-9(14)4-11/h1-3,9,13-14H,4-5H2.
What are the key properties of 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol?
1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol has a molecular weight of 299.00 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloroanilino)-3-chloropropan-2-ol is sourced from PubChem (CID 168636370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).