3-chloro-4-methyl-N-(2-nitrophenyl)aniline

C13H11ClN2O2 — CID 12710588

IUPAC3-chloro-4-methyl-N-(2-nitrophenyl)aniline
SMILESCc1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-9-6-7-10(8-11(9)14)15-12-4-2-3-5-13(12)16(17)18/h2-8,15H,1H3
InChIKeyGGHFUPFHZJADCP-UHFFFAOYSA-N
MW262.70 g/mol
LogP4.30
Rot. Bonds3

About 3-chloro-4-methyl-N-(2-nitrophenyl)aniline

3-chloro-4-methyl-N-(2-nitrophenyl)aniline (PubChem CID 12710588) has the molecular formula C13H11ClN2O2 and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-chloro-4-methyl-N-(2-nitrophenyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methyl-N-(2-nitrophenyl)aniline
PubChem CID12710588
Molecular FormulaC13H11ClN2O2
Molecular Weight262.70 g/mol
Exact Mass262.05
IUPAC Name3-chloro-4-methyl-N-(2-nitrophenyl)aniline
SMILESCc1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl
InChIInChI=1S/C13H11ClN2O2/c1-9-6-7-10(8-11(9)14)15-12-4-2-3-5-13(12)16(17)18/h2-8,15H,1H3
InChIKeyGGHFUPFHZJADCP-UHFFFAOYSA-N
XLogP4.30
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 54.30
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

3-fluoro-4-methyl-N-(2-nitrophenyl)aniline
CID 7779028
2-chloro-4-(2-nitroanilino)benzoic acid
CID 61399202
N-(3-chloro-4-methylphenyl)-3-fluoro-2-nitroaniline
CID 63549745
3,4-difluoro-N-(2-nitrophenyl)aniline
CID 59560768
N-(3-chloro-4-methylphenyl)-4-nitro-2,1,3-benzoxadiazol-7-amine
CID 2904022
tert-butyl 2-chloro-4-(2-nitroanilino)benzoate
CID 144826964
5-chloro-4-methyl-2-nitro-N-phenylaniline
CID 67032404
N-(3-chloro-4-methylphenyl)-2-(2-nitrophenyl)acetamide
CID 3384920
[2-chloro-4-(2-nitroanilino)phenyl]-(1-methylpyrrol-2-yl)methanethione
CID 10156089
N-[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 2176221
N-(3-chloro-4-methylphenyl)-N'-[(Z)-[4-(2-nitroanilino)-4-oxobutan-2-ylidene]amino]oxamide
CID 98155811
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitroaniline
CID 63536605

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-N-(2-nitrophenyl)aniline?
The IUPAC name of 3-chloro-4-methyl-N-(2-nitrophenyl)aniline (CID 12710588) is 3-chloro-4-methyl-N-(2-nitrophenyl)aniline.
What is the SMILES notation for 3-chloro-4-methyl-N-(2-nitrophenyl)aniline?
The canonical SMILES for 3-chloro-4-methyl-N-(2-nitrophenyl)aniline is Cc1ccc(Nc2ccccc2[N+](=O)[O-])cc1Cl.
What is the InChIKey of 3-chloro-4-methyl-N-(2-nitrophenyl)aniline?
The InChIKey is GGHFUPFHZJADCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2O2/c1-9-6-7-10(8-11(9)14)15-12-4-2-3-5-13(12)16(17)18/h2-8,15H,1H3.
What are the key properties of 3-chloro-4-methyl-N-(2-nitrophenyl)aniline?
3-chloro-4-methyl-N-(2-nitrophenyl)aniline has a molecular weight of 262.70 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-N-(2-nitrophenyl)aniline is sourced from PubChem (CID 12710588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).