[6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid

C15H16Cl2N2O4 — CID 170427622

IUPAC[6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid
SMILESO=C(O)Nc1cc(Cl)c(Cl)c2[nH]c(COC3CCCCO3)cc12
InChIInChI=1S/C15H16Cl2N2O4/c16-10-6-11(19-15(20)21)9-5-8(18-14(9)13(10)17)7-23-12-3-1-2-4-22-12/h5-6,12,18-19H,1-4,7H2,(H,20,21)
InChIKeyASIYHEJLGLKPDQ-UHFFFAOYSA-N
MW359.21 g/mol
LogP4.61
Rot. Bonds4

About [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid

[6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid (PubChem CID 170427622) has the molecular formula C15H16Cl2N2O4 and a molecular weight of 359.21 g/mol. Its IUPAC name is [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid.

Molecular Properties

Compound Name[6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid
PubChem CID170427622
Molecular FormulaC15H16Cl2N2O4
Molecular Weight359.21 g/mol
Exact Mass358.05
IUPAC Name[6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid
SMILESO=C(O)Nc1cc(Cl)c(Cl)c2[nH]c(COC3CCCCO3)cc12
InChIInChI=1S/C15H16Cl2N2O4/c16-10-6-11(19-15(20)21)9-5-8(18-14(9)13(10)17)7-23-12-3-1-2-4-22-12/h5-6,12,18-19H,1-4,7H2,(H,20,21)
InChIKeyASIYHEJLGLKPDQ-UHFFFAOYSA-N
XLogP4.61
TPSA83.58 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 54.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[4-chloro-5-(dimethylamino)-2-[[3-[3-[5-(oxan-2-yloxymethyl)triazol-1-yl]phenyl]-3-oxopropanoyl]amino]phenyl]carbamic acid
CID 18613172
tert-butyl N-[6,7-dichloro-2-[2-(oxan-2-yloxy)ethyl]-3-[1-(oxan-2-yl)pyrazol-4-yl]-1H-indol-4-yl]carbamate
CID 170427927
2-(3-methylbutanoyl)-6-(oxan-2-yloxymethyl)-3-phenylmethoxy-1H-pyridin-4-one
CID 158067897
4-chloro-2,6-dimethyl-7-(oxan-2-yloxymethyl)quinoline
CID 22054525
5-(oxan-2-yloxymethyl)-1H-pyrazol-3-amine
CID 90166122
[4-(oxan-2-yloxymethyl)phenyl]methyl carbamate
CID 151097937
2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 146457189
4-(oxan-2-yloxy)-1-(3,4,5-trimethoxyphenyl)but-2-yn-1-one
CID 10914609
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
2-[(1S,5R)-5-hydroxy-2-(oxan-2-yloxymethyl)cyclopent-2-en-1-yl]acetic acid
CID 22797022

Frequently Asked Questions

What is the IUPAC name of [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid?
The IUPAC name of [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid (CID 170427622) is [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid.
What is the SMILES notation for [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid?
The canonical SMILES for [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid is O=C(O)Nc1cc(Cl)c(Cl)c2[nH]c(COC3CCCCO3)cc12.
What is the InChIKey of [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid?
The InChIKey is ASIYHEJLGLKPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O4/c16-10-6-11(19-15(20)21)9-5-8(18-14(9)13(10)17)7-23-12-3-1-2-4-22-12/h5-6,12,18-19H,1-4,7H2,(H,20,21).
What are the key properties of [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid?
[6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid has a molecular weight of 359.21 g/mol, XLogP of 4.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6,7-dichloro-2-(oxan-2-yloxymethyl)-1H-indol-4-yl]carbamic acid is sourced from PubChem (CID 170427622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).