methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate

C14H16ClN3O3 — CID 71994383

IUPACmethyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H16ClN3O3/c1-21-14(20)18-8-13(19)16-5-4-9-7-17-12-3-2-10(15)6-11(9)12/h2-3,6-7,17H,4-5,8H2,1H3,(H,16,19)(H,18,20)
InChIKeyRHEQZJPMXXOVHR-UHFFFAOYSA-N
MW309.75 g/mol
LogP1.84
Rot. Bonds5

About methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate

methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate (PubChem CID 71994383) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
PubChem CID71994383
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC Namemethyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
SMILESCOC(=O)NCC(=O)NCCc1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C14H16ClN3O3/c1-21-14(20)18-8-13(19)16-5-4-9-7-17-12-3-2-10(15)6-11(9)12/h2-3,6-7,17H,4-5,8H2,1H3,(H,16,19)(H,18,20)
InChIKeyRHEQZJPMXXOVHR-UHFFFAOYSA-N
XLogP1.84
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 4974066
methyl N-[2-(5-fluoro-1H-indol-3-yl)ethyl]carbamate
CID 110731487
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
2,4-dichloro-N-[2-[2-(5-fluoro-1H-indol-3-yl)ethylamino]-2-oxoethyl]benzamide
CID 86964457
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(3-hydroxypropyl)urea
CID 111508552
tert-butyl N-[(5-chloro-1H-indol-3-yl)methyl]carbamate
CID 71299888
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
2-(2,5-dichloroanilino)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 109002516
2-(5-chloro-1H-indol-3-yl)-N-methoxyacetamide
CID 110611810
2-(5-chloro-1H-indol-3-yl)-N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]acetamide
CID 110625376
2-methoxy-N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide
CID 17271899

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate (CID 71994383) is methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate is COC(=O)NCC(=O)NCCc1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate?
The InChIKey is RHEQZJPMXXOVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-21-14(20)18-8-13(19)16-5-4-9-7-17-12-3-2-10(15)6-11(9)12/h2-3,6-7,17H,4-5,8H2,1H3,(H,16,19)(H,18,20).
What are the key properties of methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate?
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate has a molecular weight of 309.75 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate is sourced from PubChem (CID 71994383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).