2-chloro-N-cyclobutyl-6-nitroaniline

C10H11ClN2O2 — CID 62416552

IUPAC2-chloro-N-cyclobutyl-6-nitroaniline
SMILESO=[N+]([O-])c1cccc(Cl)c1NC1CCC1
InChIInChI=1S/C10H11ClN2O2/c11-8-5-2-6-9(13(14)15)10(8)12-7-3-1-4-7/h2,5-7,12H,1,3-4H2
InChIKeyROQBDVRYTPVBMP-UHFFFAOYSA-N
MW226.66 g/mol
LogP3.21
Rot. Bonds3

About 2-chloro-N-cyclobutyl-6-nitroaniline

2-chloro-N-cyclobutyl-6-nitroaniline (PubChem CID 62416552) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 2-chloro-N-cyclobutyl-6-nitroaniline.

Molecular Properties

Compound Name2-chloro-N-cyclobutyl-6-nitroaniline
PubChem CID62416552
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name2-chloro-N-cyclobutyl-6-nitroaniline
SMILESO=[N+]([O-])c1cccc(Cl)c1NC1CCC1
InChIInChI=1S/C10H11ClN2O2/c11-8-5-2-6-9(13(14)15)10(8)12-7-3-1-4-7/h2,5-7,12H,1,3-4H2
InChIKeyROQBDVRYTPVBMP-UHFFFAOYSA-N
XLogP3.21
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-6-nitrophenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 53302995
2-(cyclobutylamino)-3-nitrobenzoic acid
CID 112576906
2-(cyclopentylamino)-3-nitrobenzonitrile
CID 175743449
2,6-dichloro-N-cyclohexylaniline
CID 65469917
2-chloro-N-(2,2-dimethylcyclohexyl)-6-nitroaniline
CID 79870217
N-(2-chloro-6-nitrophenyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63541987
N-(2-fluoro-6-nitrophenyl)oxepan-4-amine
CID 81310438
3-(2-methyl-6-nitroanilino)cyclohexane-1-carboxylic acid
CID 115551068
2-chloro-N-[(2-methylcyclohexyl)methyl]-6-nitroaniline
CID 55224392
N-cyclopropyl-2-methylsulfonyl-6-nitroaniline
CID 67431788
2-chloro-6-nitro-N-[3-(1,2,4-triazol-1-ylmethyl)cyclobutyl]aniline
CID 166278833
N-cyclopropyl-2-(cyclopropylamino)-3-nitrobenzamide
CID 67433398

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclobutyl-6-nitroaniline?
The IUPAC name of 2-chloro-N-cyclobutyl-6-nitroaniline (CID 62416552) is 2-chloro-N-cyclobutyl-6-nitroaniline.
What is the SMILES notation for 2-chloro-N-cyclobutyl-6-nitroaniline?
The canonical SMILES for 2-chloro-N-cyclobutyl-6-nitroaniline is O=[N+]([O-])c1cccc(Cl)c1NC1CCC1.
What is the InChIKey of 2-chloro-N-cyclobutyl-6-nitroaniline?
The InChIKey is ROQBDVRYTPVBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c11-8-5-2-6-9(13(14)15)10(8)12-7-3-1-4-7/h2,5-7,12H,1,3-4H2.
What are the key properties of 2-chloro-N-cyclobutyl-6-nitroaniline?
2-chloro-N-cyclobutyl-6-nitroaniline has a molecular weight of 226.66 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclobutyl-6-nitroaniline is sourced from PubChem (CID 62416552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).