2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid

C11H10Cl2N2O2 — CID 170426992

IUPAC2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cc2ccc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C11H10Cl2N2O2/c12-8-2-1-6-5-7(3-4-14-11(16)17)15-10(6)9(8)13/h1-2,5,14-15H,3-4H2,(H,16,17)
InChIKeyKJQSWPNMJRUNND-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.28
Rot. Bonds3

About 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid

2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid (PubChem CID 170426992) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid
PubChem CID170426992
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid
SMILESO=C(O)NCCc1cc2ccc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C11H10Cl2N2O2/c12-8-2-1-6-5-7(3-4-14-11(16)17)15-10(6)9(8)13/h1-2,5,14-15H,3-4H2,(H,16,17)
InChIKeyKJQSWPNMJRUNND-UHFFFAOYSA-N
XLogP3.28
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid?
The IUPAC name of 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid (CID 170426992) is 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid.
What is the SMILES notation for 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid?
The canonical SMILES for 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid is O=C(O)NCCc1cc2ccc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid?
The InChIKey is KJQSWPNMJRUNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c12-8-2-1-6-5-7(3-4-14-11(16)17)15-10(6)9(8)13/h1-2,5,14-15H,3-4H2,(H,16,17).
What are the key properties of 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid?
2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid has a molecular weight of 273.12 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-1H-indol-2-yl)ethylcarbamic acid is sourced from PubChem (CID 170426992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).