4-(4-methoxyphenyl)-2-nitro-N-phenylaniline

C19H16N2O3 — CID 54070021

IUPAC4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
SMILESCOc1ccc(-c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H16N2O3/c1-24-17-10-7-14(8-11-17)15-9-12-18(19(13-15)21(22)23)20-16-5-3-2-4-6-16/h2-13,20H,1H3
InChIKeyMFTUGZGPIAJXMC-UHFFFAOYSA-N
MW320.35 g/mol
LogP5.01
Rot. Bonds5

About 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline

4-(4-methoxyphenyl)-2-nitro-N-phenylaniline (PubChem CID 54070021) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
PubChem CID54070021
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC Name4-(4-methoxyphenyl)-2-nitro-N-phenylaniline
SMILESCOc1ccc(-c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C19H16N2O3/c1-24-17-10-7-14(8-11-17)15-9-12-18(19(13-15)21(22)23)20-16-5-3-2-4-6-16/h2-13,20H,1H3
InChIKeyMFTUGZGPIAJXMC-UHFFFAOYSA-N
XLogP5.01
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.35
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methoxy-2-nitro-N-(4-nitrophenyl)aniline
CID 86676152
4,5-dimethoxy-2-nitro-N-phenylaniline
CID 22004113
N-(4-methoxy-2-nitrophenyl)pyridin-4-amine
CID 121011704
4-(4-methoxyanilino)-3-nitrobenzonitrile
CID 2988965
4-anilino-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-3-nitrobenzamide
CID 56524164
2-nitro-4-phenyl-N-(2-propan-2-ylphenyl)aniline
CID 86729144
1-anilino-2-nitro-4-phenylsulfinamoyloxybenzene
CID 20681782
carbon dioxide;4-methyl-2-nitro-N-phenylaniline
CID 91236628
4-[4-(2,4-dinitroanilino)-3-methoxyphenyl]-N-(2,4-dinitrophenyl)-2-methoxyaniline
CID 5486733
1-N-(4-methoxyphenyl)-4-nitrobenzene-1,2-diamine
CID 12643556
5-methoxy-N-(4-methylphenyl)-2-nitroaniline
CID 67365056
4-anilino-3-nitrobenzoic acid
CID 3824366

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline?
The IUPAC name of 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline (CID 54070021) is 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline?
The canonical SMILES for 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline is COc1ccc(-c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline?
The InChIKey is MFTUGZGPIAJXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-24-17-10-7-14(8-11-17)15-9-12-18(19(13-15)21(22)23)20-16-5-3-2-4-6-16/h2-13,20H,1H3.
What are the key properties of 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline?
4-(4-methoxyphenyl)-2-nitro-N-phenylaniline has a molecular weight of 320.35 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-nitro-N-phenylaniline is sourced from PubChem (CID 54070021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).