(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid

C24H16F2N2O3 — CID 67861023

IUPAC(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid
SMILESCc1cc(F)ccc1N(C(=O)O)c1cc2ccc3c4cc(F)ccc4[nH]c3c2cc1O
InChIInChI=1S/C24H16F2N2O3/c1-12-8-14(25)4-7-20(12)28(24(30)31)21-9-13-2-5-16-18-10-15(26)3-6-19(18)27-23(16)17(13)11-22(21)29/h2-11,27,29H,1H3,(H,30,31)
InChIKeyIBZQGKROCCKGKA-UHFFFAOYSA-N
MW418.40 g/mol
LogP6.58
Rot. Bonds2

About (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid

(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid (PubChem CID 67861023) has the molecular formula C24H16F2N2O3 and a molecular weight of 418.40 g/mol. Its IUPAC name is (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid.

Molecular Properties

Compound Name(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid
PubChem CID67861023
Molecular FormulaC24H16F2N2O3
Molecular Weight418.40 g/mol
Exact Mass418.11
IUPAC Name(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid
SMILESCc1cc(F)ccc1N(C(=O)O)c1cc2ccc3c4cc(F)ccc4[nH]c3c2cc1O
InChIInChI=1S/C24H16F2N2O3/c1-12-8-14(25)4-7-20(12)28(24(30)31)21-9-13-2-5-16-18-10-15(26)3-6-19(18)27-23(16)17(13)11-22(21)29/h2-11,27,29H,1H3,(H,30,31)
InChIKeyIBZQGKROCCKGKA-UHFFFAOYSA-N
XLogP6.58
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.40
LogP ≤ 56.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid?
The IUPAC name of (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid (CID 67861023) is (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid.
What is the SMILES notation for (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid?
The canonical SMILES for (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid is Cc1cc(F)ccc1N(C(=O)O)c1cc2ccc3c4cc(F)ccc4[nH]c3c2cc1O.
What is the InChIKey of (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid?
The InChIKey is IBZQGKROCCKGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N2O3/c1-12-8-14(25)4-7-20(12)28(24(30)31)21-9-13-2-5-16-18-10-15(26)3-6-19(18)27-23(16)17(13)11-22(21)29/h2-11,27,29H,1H3,(H,30,31).
What are the key properties of (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid?
(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid has a molecular weight of 418.40 g/mol, XLogP of 6.58, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)-(4-fluoro-2-methylphenyl)carbamic acid is sourced from PubChem (CID 67861023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).