1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

C21H17BrCl2N2O — CID 2836201

IUPAC1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CNc1ccc(Br)cc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C21H17BrCl2N2O/c22-13-1-5-16(6-2-13)25-11-17(27)12-26-20-7-3-14(23)9-18(20)19-10-15(24)4-8-21(19)26/h1-10,17,25,27H,11-12H2
InChIKeyNDSIFUBZUKXXRP-UHFFFAOYSA-N
MW464.19 g/mol
LogP6.34
Rot. Bonds5

About 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol

1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (PubChem CID 2836201) has the molecular formula C21H17BrCl2N2O and a molecular weight of 464.19 g/mol. Its IUPAC name is 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
PubChem CID2836201
Molecular FormulaC21H17BrCl2N2O
Molecular Weight464.19 g/mol
Exact Mass461.99
IUPAC Name1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol
SMILESOC(CNc1ccc(Br)cc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21
InChIInChI=1S/C21H17BrCl2N2O/c22-13-1-5-16(6-2-13)25-11-17(27)12-26-20-7-3-14(23)9-18(20)19-10-15(24)4-8-21(19)26/h1-10,17,25,27H,11-12H2
InChIKeyNDSIFUBZUKXXRP-UHFFFAOYSA-N
XLogP6.34
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.19
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The IUPAC name of 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol (CID 2836201) is 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol.
What is the SMILES notation for 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The canonical SMILES for 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is OC(CNc1ccc(Br)cc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21.
What is the InChIKey of 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
The InChIKey is NDSIFUBZUKXXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrCl2N2O/c22-13-1-5-16(6-2-13)25-11-17(27)12-26-20-7-3-14(23)9-18(20)19-10-15(24)4-8-21(19)26/h1-10,17,25,27H,11-12H2.
What are the key properties of 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol?
1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol has a molecular weight of 464.19 g/mol, XLogP of 6.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromoanilino)-3-(3,6-dichlorocarbazol-9-yl)propan-2-ol is sourced from PubChem (CID 2836201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).