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

C20H21ClN2O3 — CID 6733787

IUPAC2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1ccc2[nH]cc(CCNC(=O)OCCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C20H21ClN2O3/c1-25-17-5-6-19-18(12-17)15(13-23-19)7-9-22-20(24)26-10-8-14-3-2-4-16(21)11-14/h2-6,11-13,23H,7-10H2,1H3,(H,22,24)
InChIKeyUFSFAWOXCJFFGW-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.34
Rot. Bonds7

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

2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate (PubChem CID 6733787) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate.

Molecular Properties

Compound Name2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
PubChem CID6733787
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
SMILESCOc1ccc2[nH]cc(CCNC(=O)OCCc3cccc(Cl)c3)c2c1
InChIInChI=1S/C20H21ClN2O3/c1-25-17-5-6-19-18(12-17)15(13-23-19)7-9-22-20(24)26-10-8-14-3-2-4-16(21)11-14/h2-6,11-13,23H,7-10H2,1H3,(H,22,24)
InChIKeyUFSFAWOXCJFFGW-UHFFFAOYSA-N
XLogP4.34
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
[(Z)-3-chlorobut-2-enyl] N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 45109027
N-[2-(3-chlorophenyl)ethyl]-2-(5-methoxy-1H-indol-3-yl)-2-methylpropanamide
CID 113210204
4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 129111066
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
(4-phenylphenyl) N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 177382635
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-methylguanidine
CID 142888234
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(2-phenylethyl)thiourea
CID 2972714
ethyl 3-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-3-oxopropanoate
CID 18794243
2-(5-chloro-1H-indol-3-yl)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 113209520
benzyl N-[2-(5-sulfooxy-1H-indol-3-yl)ethyl]carbamate
CID 71313888

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
The IUPAC name of 2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate (CID 6733787) is 2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate.
What is the SMILES notation for 2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
The canonical SMILES for 2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate is COc1ccc2[nH]cc(CCNC(=O)OCCc3cccc(Cl)c3)c2c1.
What is the InChIKey of 2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
The InChIKey is UFSFAWOXCJFFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-25-17-5-6-19-18(12-17)15(13-23-19)7-9-22-20(24)26-10-8-14-3-2-4-16(21)11-14/h2-6,11-13,23H,7-10H2,1H3,(H,22,24).
What are the key properties of 2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate?
2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate has a molecular weight of 372.85 g/mol, XLogP of 4.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate is sourced from PubChem (CID 6733787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).