2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole

C16H13ClN2O — CID 154105715

IUPAC2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole
SMILESCCn1c(-c2ccc(Cl)cc2)c(N=O)c2ccccc21
InChIInChI=1S/C16H13ClN2O/c1-2-19-14-6-4-3-5-13(14)15(18-20)16(19)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3
InChIKeyIWBSUARPALAGRZ-UHFFFAOYSA-N
MW284.75 g/mol
LogP5.38
Rot. Bonds3

About 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole

2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole (PubChem CID 154105715) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole
PubChem CID154105715
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole
SMILESCCn1c(-c2ccc(Cl)cc2)c(N=O)c2ccccc21
InChIInChI=1S/C16H13ClN2O/c1-2-19-14-6-4-3-5-13(14)15(18-20)16(19)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3
InChIKeyIWBSUARPALAGRZ-UHFFFAOYSA-N
XLogP5.38
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.75
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-1-ethylindole-3-carbonitrile
CID 22689249
1-butyl-3-nitroso-2-phenylindole
CID 155676886
2-(4-methoxyphenyl)-1-methyl-3-nitrosoindole
CID 155676892
(1-ethyl-2-phenylindol-3-yl)-(3-ethyl-1,3-thiazol-3-ium-2-yl)diazene chloride
CID 68840423
(2-chlorophenyl)-(1-ethyl-2-phenylindol-3-yl)methanone
CID 154139542
4-chloro-N-[(9-ethylcarbazol-3-yl)methylideneamino]benzamide
CID 4508320
4-chloro-1-ethyl-3-phenylquinolin-2-one
CID 139216417
(1-ethyl-2-phenylindol-3-yl)-(3-methyl-1,3-thiazol-3-ium-2-yl)diazene chloride
CID 68837588
(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(1-ethyl-2-phenylindol-3-yl)diazene
CID 68837531
(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)-(1-ethyl-2-phenylindol-3-yl)diazene chloride
CID 68831487
(3-ethyl-4,5-dimethyl-1,3-thiazol-3-ium-2-yl)-(1-ethyl-2-phenylindol-3-yl)diazene bromide
CID 68837530
2-(4-chlorophenyl)-N,N-diethyl-1-methylsulfonylindol-3-amine
CID 56957362

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole?
The IUPAC name of 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole (CID 154105715) is 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole.
What is the SMILES notation for 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole?
The canonical SMILES for 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole is CCn1c(-c2ccc(Cl)cc2)c(N=O)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole?
The InChIKey is IWBSUARPALAGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-2-19-14-6-4-3-5-13(14)15(18-20)16(19)11-7-9-12(17)10-8-11/h3-10H,2H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole?
2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole has a molecular weight of 284.75 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-ethyl-3-nitrosoindole is sourced from PubChem (CID 154105715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).