5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine

C17H13ClFN3O2 — CID 123406557

IUPAC5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine
SMILESNC1=Nc2ccc(Cl)cc2C1(N=O)c1cc(F)ccc1OC1CC1
InChIInChI=1S/C17H13ClFN3O2/c18-9-1-5-14-12(7-9)17(22-23,16(20)21-14)13-8-10(19)2-6-15(13)24-11-3-4-11/h1-2,5-8,11H,3-4H2,(H2,20,21)
InChIKeyRPVMJXWSEBSORV-UHFFFAOYSA-N
MW345.76 g/mol
LogP4.03
Rot. Bonds4

About 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine

5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine (PubChem CID 123406557) has the molecular formula C17H13ClFN3O2 and a molecular weight of 345.76 g/mol. Its IUPAC name is 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine.

Molecular Properties

Compound Name5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine
PubChem CID123406557
Molecular FormulaC17H13ClFN3O2
Molecular Weight345.76 g/mol
Exact Mass345.07
IUPAC Name5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine
SMILESNC1=Nc2ccc(Cl)cc2C1(N=O)c1cc(F)ccc1OC1CC1
InChIInChI=1S/C17H13ClFN3O2/c18-9-1-5-14-12(7-9)17(22-23,16(20)21-14)13-8-10(19)2-6-15(13)24-11-3-4-11/h1-2,5-8,11H,3-4H2,(H2,20,21)
InChIKeyRPVMJXWSEBSORV-UHFFFAOYSA-N
XLogP4.03
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 130163329
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1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
CID 117472089
2-(4-aminocyclohexyl)oxy-4-fluoroaniline
CID 117095536
3-(2-cyclopropyloxy-5-fluorophenyl)propan-1-amine
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4-chloro-2-cyclobutyloxy-1-cyclopentyloxybenzene
CID 90887277
4-(4-chloro-2-fluorophenoxy)piperidine;hydrochloride
CID 46735703
4-(2-chloro-4-fluorophenoxy)-1-piperidin-4-ylpiperidine
CID 23102803
1-cyclobutyloxy-2,3,4-trifluorobenzene
CID 155030976
5-chloro-2-(4,4-dimethylcyclohexyl)oxybenzoic acid
CID 114340744
methyl 5-chloro-2-cyclopropyloxybenzoate
CID 66846877

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine?
The IUPAC name of 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine (CID 123406557) is 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine.
What is the SMILES notation for 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine?
The canonical SMILES for 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine is NC1=Nc2ccc(Cl)cc2C1(N=O)c1cc(F)ccc1OC1CC1.
What is the InChIKey of 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine?
The InChIKey is RPVMJXWSEBSORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O2/c18-9-1-5-14-12(7-9)17(22-23,16(20)21-14)13-8-10(19)2-6-15(13)24-11-3-4-11/h1-2,5-8,11H,3-4H2,(H2,20,21).
What are the key properties of 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine?
5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine has a molecular weight of 345.76 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-cyclopropyloxy-5-fluorophenyl)-3-nitrosoindol-2-amine is sourced from PubChem (CID 123406557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).