N,2-dichloro-4-nitroaniline

C6H4Cl2N2O2 — CID 57242965

IUPACN,2-dichloro-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCl)c(Cl)c1
InChIInChI=1S/C6H4Cl2N2O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3,9H
InChIKeyYCBVKFOROVUYKU-UHFFFAOYSA-N
MW207.02 g/mol
LogP2.81
Rot. Bonds2

About N,2-dichloro-4-nitroaniline

N,2-dichloro-4-nitroaniline (PubChem CID 57242965) has the molecular formula C6H4Cl2N2O2 and a molecular weight of 207.02 g/mol. Its IUPAC name is N,2-dichloro-4-nitroaniline.

Molecular Properties

Compound NameN,2-dichloro-4-nitroaniline
PubChem CID57242965
Molecular FormulaC6H4Cl2N2O2
Molecular Weight207.02 g/mol
Exact Mass205.96
IUPAC NameN,2-dichloro-4-nitroaniline
SMILESO=[N+]([O-])c1ccc(NCl)c(Cl)c1
InChIInChI=1S/C6H4Cl2N2O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3,9H
InChIKeyYCBVKFOROVUYKU-UHFFFAOYSA-N
XLogP2.81
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.02
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', '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

N-chloro-2-methyl-4-nitroaniline
CID 134879883
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
1-(2-chloro-4-nitrophenyl)-2-(2,5-dichloro-4-nitrophenyl)hydrazine
CID 91596753
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
N-but-2-ynyl-2-chloro-4-nitroaniline
CID 115869271
1,1,2-trichloro-N,N'-bis(2-chloro-4-nitrophenyl)ethane-1,2-diamine
CID 20980486
(2S)-1-amino-3-(2-chloro-4-nitroanilino)propan-2-ol
CID 7104383
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
2-chloro-N-[(3,5-dichlorophenyl)methyl]-4-nitroaniline
CID 60789540
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
2-chloro-1-(dimethylsulfamoylamino)-4-nitrobenzene
CID 3515544

Frequently Asked Questions

What is the IUPAC name of N,2-dichloro-4-nitroaniline?
The IUPAC name of N,2-dichloro-4-nitroaniline (CID 57242965) is N,2-dichloro-4-nitroaniline.
What is the SMILES notation for N,2-dichloro-4-nitroaniline?
The canonical SMILES for N,2-dichloro-4-nitroaniline is O=[N+]([O-])c1ccc(NCl)c(Cl)c1.
What is the InChIKey of N,2-dichloro-4-nitroaniline?
The InChIKey is YCBVKFOROVUYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2N2O2/c7-5-3-4(10(11)12)1-2-6(5)9-8/h1-3,9H.
What are the key properties of N,2-dichloro-4-nitroaniline?
N,2-dichloro-4-nitroaniline has a molecular weight of 207.02 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dichloro-4-nitroaniline is sourced from PubChem (CID 57242965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).