(2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid

C15H11Br2NO2 — CID 174857044

IUPAC(2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid
SMILESO=C(O)NCc1c(Br)ccc2c1Cc1cc(Br)ccc1-2
InChIInChI=1S/C15H11Br2NO2/c16-9-1-2-10-8(5-9)6-12-11(10)3-4-14(17)13(12)7-18-15(19)20/h1-5,18H,6-7H2,(H,19,20)
InChIKeyZNIVFLVJTZUSQO-UHFFFAOYSA-N
MW397.07 g/mol
LogP4.55
Rot. Bonds2

About (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid

(2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid (PubChem CID 174857044) has the molecular formula C15H11Br2NO2 and a molecular weight of 397.07 g/mol. Its IUPAC name is (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid.

Molecular Properties

Compound Name(2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid
PubChem CID174857044
Molecular FormulaC15H11Br2NO2
Molecular Weight397.07 g/mol
Exact Mass394.92
IUPAC Name(2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid
SMILESO=C(O)NCc1c(Br)ccc2c1Cc1cc(Br)ccc1-2
InChIInChI=1S/C15H11Br2NO2/c16-9-1-2-10-8(5-9)6-12-11(10)3-4-14(17)13(12)7-18-15(19)20/h1-5,18H,6-7H2,(H,19,20)
InChIKeyZNIVFLVJTZUSQO-UHFFFAOYSA-N
XLogP4.55
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.07
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-bromo-1-chloro-9H-fluorene
CID 170283983
2-bromo-7-methyl-9H-fluorene
CID 21041918
(7-bromo-9H-fluoren-1-yl) hypochlorite
CID 168875407
(7-bromoquinolin-2-yl)methylcarbamic acid
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1-bromo-4-fluorobenzene;[5-fluoro-2-(4-fluorophenyl)phenyl]methylcarbamic acid
CID 69095609
[4-bromo-2-(2,2-difluoroethyl)phenyl]methylcarbamic acid
CID 159543729
1-(7-bromo-9H-fluoren-2-yl)-3-methyl-1-sulfanylurea
CID 87759691
3-[(6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl)amino]propanoic acid
CID 63627449
(5-bromo-2-ethylsulfanylphenyl)methylcarbamic acid
CID 122552875
7-bromo-2-hexyl-1-[2,3,4,5,6-pentakis(7-bromo-2-hexyl-9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308541
2,7-dibromo-10-methylidene-9H-phenanthrene
CID 143802793
1-(7-bromo-9H-fluoren-2-yl)-3-[3-(dimethylamino)propyl]-1-sulfanylurea
CID 87759297

Frequently Asked Questions

What is the IUPAC name of (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid?
The IUPAC name of (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid (CID 174857044) is (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid.
What is the SMILES notation for (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid?
The canonical SMILES for (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid is O=C(O)NCc1c(Br)ccc2c1Cc1cc(Br)ccc1-2.
What is the InChIKey of (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid?
The InChIKey is ZNIVFLVJTZUSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2NO2/c16-9-1-2-10-8(5-9)6-12-11(10)3-4-14(17)13(12)7-18-15(19)20/h1-5,18H,6-7H2,(H,19,20).
What are the key properties of (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid?
(2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid has a molecular weight of 397.07 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dibromo-9H-fluoren-1-yl)methylcarbamic acid is sourced from PubChem (CID 174857044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).