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

C23H13F3N2O3 — CID 67860947

IUPAC(2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid
SMILESO=C(O)N(c1cc2ccc3c4cc(F)ccc4[nH]c3c2cc1O)c1ccc(F)cc1F
InChIInChI=1S/C23H13F3N2O3/c24-12-2-5-18-16(8-12)14-4-1-11-7-20(21(29)10-15(11)22(14)27-18)28(23(30)31)19-6-3-13(25)9-17(19)26/h1-10,27,29H,(H,30,31)
InChIKeyBHGCJEMLJGZOMY-UHFFFAOYSA-N
MW422.36 g/mol
LogP6.41
Rot. Bonds2

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

(2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid (PubChem CID 67860947) has the molecular formula C23H13F3N2O3 and a molecular weight of 422.36 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid
PubChem CID67860947
Molecular FormulaC23H13F3N2O3
Molecular Weight422.36 g/mol
Exact Mass422.09
IUPAC Name(2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid
SMILESO=C(O)N(c1cc2ccc3c4cc(F)ccc4[nH]c3c2cc1O)c1ccc(F)cc1F
InChIInChI=1S/C23H13F3N2O3/c24-12-2-5-18-16(8-12)14-4-1-11-7-20(21(29)10-15(11)22(14)27-18)28(23(30)31)19-6-3-13(25)9-17(19)26/h1-10,27,29H,(H,30,31)
InChIKeyBHGCJEMLJGZOMY-UHFFFAOYSA-N
XLogP6.41
TPSA76.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.36
LogP ≤ 56.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 71461988
CID 6712793
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CID 5330879
CID 5330879
CID 5330880
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CID 5330884
CID 5330884
CID 5330885
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CID 5330886
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CID 5330887
CID 5330887

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid?
The IUPAC name of (2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid (CID 67860947) is (2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid.
What is the SMILES notation for (2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid?
The canonical SMILES for (2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid is O=C(O)N(c1cc2ccc3c4cc(F)ccc4[nH]c3c2cc1O)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid?
The InChIKey is BHGCJEMLJGZOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13F3N2O3/c24-12-2-5-18-16(8-12)14-4-1-11-7-20(21(29)10-15(11)22(14)27-18)28(23(30)31)19-6-3-13(25)9-17(19)26/h1-10,27,29H,(H,30,31).
What are the key properties of (2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid?
(2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid has a molecular weight of 422.36 g/mol, XLogP of 6.41, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(8-fluoro-2-hydroxy-11H-benzo[a]carbazol-3-yl)carbamic acid is sourced from PubChem (CID 67860947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).