4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline

C13H10Cl2N2O2 — CID 43218103

IUPAC4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCc1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2/c14-10-3-1-2-9(6-10)8-16-12-5-4-11(15)7-13(12)17(18)19/h1-7,16H,8H2
InChIKeyWCHBTQORDJVOFW-UHFFFAOYSA-N
MW297.14 g/mol
LogP4.51
Rot. Bonds4

About 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline

4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline (PubChem CID 43218103) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline
PubChem CID43218103
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCc1cccc(Cl)c1
InChIInChI=1S/C13H10Cl2N2O2/c14-10-3-1-2-9(6-10)8-16-12-5-4-11(15)7-13(12)17(18)19/h1-7,16H,8H2
InChIKeyWCHBTQORDJVOFW-UHFFFAOYSA-N
XLogP4.51
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 54.51
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

4-bromo-N-[(3-chlorophenyl)methyl]-2-nitroaniline
CID 24902959
4-chloro-N-[(3-methoxyphenyl)methyl]-2-nitroaniline
CID 9111194
N-[(3-chlorophenyl)methyl]-4-ethoxy-2-nitroaniline
CID 60780960
N-[(4-aminophenyl)methyl]-4-chloro-2-nitroaniline
CID 116650441
4-chloro-2-nitro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]aniline
CID 60526871
N-[(3-chlorophenyl)methyl]-5-fluoro-2-nitroaniline
CID 58707301
4-[(4-chloro-2-nitroanilino)methyl]-2,6-difluorophenol
CID 79882238
N-[(4-bromo-3-methylphenyl)methyl]-4-chloro-2-nitroaniline
CID 66474402
N-[(3-chlorophenyl)methyl]-2-methyl-4-nitroaniline
CID 43425365
4-chloro-N-[(2,3-difluorophenyl)methyl]-2-nitroaniline
CID 63667211
3-chloro-2-[(4-chloro-2-nitroanilino)methyl]phenol
CID 114317991
4-chloro-N-[(2,4-dichlorophenyl)methyl]-2-nitroaniline
CID 43218114

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline?
The IUPAC name of 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline (CID 43218103) is 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline.
What is the SMILES notation for 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline?
The canonical SMILES for 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline is O=[N+]([O-])c1cc(Cl)ccc1NCc1cccc(Cl)c1.
What is the InChIKey of 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline?
The InChIKey is WCHBTQORDJVOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c14-10-3-1-2-9(6-10)8-16-12-5-4-11(15)7-13(12)17(18)19/h1-7,16H,8H2.
What are the key properties of 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline?
4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline has a molecular weight of 297.14 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chlorophenyl)methyl]-2-nitroaniline is sourced from PubChem (CID 43218103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).