2-[(4-chlorophenyl)methoxy]-5-nitroaniline

C13H11ClN2O3 — CID 65127132

IUPAC2-[(4-chlorophenyl)methoxy]-5-nitroaniline
SMILESNc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O3/c14-10-3-1-9(2-4-10)8-19-13-6-5-11(16(17)18)7-12(13)15/h1-7H,8,15H2
InChIKeyQLAFENQFSIILIB-UHFFFAOYSA-N
MW278.70 g/mol
LogP3.41
Rot. Bonds4

About 2-[(4-chlorophenyl)methoxy]-5-nitroaniline

2-[(4-chlorophenyl)methoxy]-5-nitroaniline (PubChem CID 65127132) has the molecular formula C13H11ClN2O3 and a molecular weight of 278.70 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-5-nitroaniline.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-5-nitroaniline
PubChem CID65127132
Molecular FormulaC13H11ClN2O3
Molecular Weight278.70 g/mol
Exact Mass278.05
IUPAC Name2-[(4-chlorophenyl)methoxy]-5-nitroaniline
SMILESNc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C13H11ClN2O3/c14-10-3-1-9(2-4-10)8-19-13-6-5-11(16(17)18)7-12(13)15/h1-7H,8,15H2
InChIKeyQLAFENQFSIILIB-UHFFFAOYSA-N
XLogP3.41
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.70
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methoxy]-4-nitroaniline
CID 15181471
2-chloro-1-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 66921922
1-bromo-2-[(4-chlorophenyl)methoxy]-4-nitrobenzene
CID 25235957
1-[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]-N-methylmethanamine
CID 60888633
methyl 2-[(4-chlorophenyl)methoxy]-5-nitrobenzoate
CID 91681746
4-chloro-2-nitro-1-phenylmethoxybenzene;5-chloro-2-phenylmethoxyaniline
CID 157392009
(5Z)-2-amino-5-[[2-[(4-chlorophenyl)methoxy]-5-nitrophenyl]methylidene]-1,3-thiazol-4-one
CID 16634027
1-[(4-chlorophenyl)methoxy]-3-nitrobenzene
CID 54035695
2-[(2,5-dichlorophenyl)methoxy]-4-nitroaniline
CID 67474125
4-(bromomethyl)-1-[(4-chlorophenyl)methoxy]-2-nitrobenzene
CID 43141653
2-(4-chloro-2-methylphenoxy)-5-nitroaniline
CID 62508306
4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
CID 107691106

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-5-nitroaniline?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-5-nitroaniline (CID 65127132) is 2-[(4-chlorophenyl)methoxy]-5-nitroaniline.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-5-nitroaniline?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-5-nitroaniline is Nc1cc([N+](=O)[O-])ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-5-nitroaniline?
The InChIKey is QLAFENQFSIILIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O3/c14-10-3-1-9(2-4-10)8-19-13-6-5-11(16(17)18)7-12(13)15/h1-7H,8,15H2.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-5-nitroaniline?
2-[(4-chlorophenyl)methoxy]-5-nitroaniline has a molecular weight of 278.70 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-5-nitroaniline is sourced from PubChem (CID 65127132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).