(3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

C17H15ClN2O3 — CID 24749590

IUPAC(3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)Oc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O3/c18-12-2-1-3-14(8-12)23-17(22)19-7-6-11-10-20-16-5-4-13(21)9-15(11)16/h1-5,8-10,20-21H,6-7H2,(H,19,22)
InChIKeyKHMWONIAKIGLAO-UHFFFAOYSA-N
MW330.77 g/mol
LogP3.86
Rot. Bonds4

About (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate

(3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 24749590) has the molecular formula C17H15ClN2O3 and a molecular weight of 330.77 g/mol. Its IUPAC name is (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name(3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID24749590
Molecular FormulaC17H15ClN2O3
Molecular Weight330.77 g/mol
Exact Mass330.08
IUPAC Name(3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
SMILESO=C(NCCc1c[nH]c2ccc(O)cc12)Oc1cccc(Cl)c1
InChIInChI=1S/C17H15ClN2O3/c18-12-2-1-3-14(8-12)23-17(22)19-7-6-11-10-20-16-5-4-13(21)9-15(11)16/h1-5,8-10,20-21H,6-7H2,(H,19,22)
InChIKeyKHMWONIAKIGLAO-UHFFFAOYSA-N
XLogP3.86
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate (CID 24749590) is (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is KHMWONIAKIGLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O3/c18-12-2-1-3-14(8-12)23-17(22)19-7-6-11-10-20-16-5-4-13(21)9-15(11)16/h1-5,8-10,20-21H,6-7H2,(H,19,22).
What are the key properties of (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate?
(3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 330.77 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 24749590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).