N,2-dichloro-N-phenoxyaniline

C12H9Cl2NO — CID 139746475

IUPACN,2-dichloro-N-phenoxyaniline
SMILESClc1ccccc1N(Cl)Oc1ccccc1
InChIInChI=1S/C12H9Cl2NO/c13-11-8-4-5-9-12(11)15(14)16-10-6-2-1-3-7-10/h1-9H
InChIKeySPUIGSJUZBFUCK-UHFFFAOYSA-N
MW254.12 g/mol
LogP4.29
Rot. Bonds3

About N,2-dichloro-N-phenoxyaniline

N,2-dichloro-N-phenoxyaniline (PubChem CID 139746475) has the molecular formula C12H9Cl2NO and a molecular weight of 254.12 g/mol. Its IUPAC name is N,2-dichloro-N-phenoxyaniline.

Molecular Properties

Compound NameN,2-dichloro-N-phenoxyaniline
PubChem CID139746475
Molecular FormulaC12H9Cl2NO
Molecular Weight254.12 g/mol
Exact Mass253.01
IUPAC NameN,2-dichloro-N-phenoxyaniline
SMILESClc1ccccc1N(Cl)Oc1ccccc1
InChIInChI=1S/C12H9Cl2NO/c13-11-8-4-5-9-12(11)15(14)16-10-6-2-1-3-7-10/h1-9H
InChIKeySPUIGSJUZBFUCK-UHFFFAOYSA-N
XLogP4.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.12
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,2-trichloroaniline;hydrochloride
CID 88693018
ethane;N,N,2-trichloroaniline
CID 90006156
carbonic acid;N,N,2-trichloroaniline
CID 175495912
[phenoxy(phosphanyl)amino]oxybenzene
CID 67310968
N-(2-chlorophenyl)-N-methylhydroxylamine
CID 87898260
N-(2-chlorophenyl)-N-methylthiohydroxylamine
CID 89048584
1-chloro-2-(dichloroamino)oxybenzene
CID 174531123
N-benzoyl-N-(2-chlorophenyl)benzamide
CID 10592933
azane;1-chloro-2-phenoxybenzene
CID 68980819
1,2-dimethyl-1,2-diphenoxyhydrazine;hydrochloride
CID 172705670
2-chloro-N-[4-[4-(2-chloro-N-(2-chlorophenyl)anilino)phenyl]phenyl]-N-(2-chlorophenyl)aniline
CID 20558748
2-[2-chloro-N-(2-hydroxyethoxy)anilino]oxyethanol
CID 87758684

Frequently Asked Questions

What is the IUPAC name of N,2-dichloro-N-phenoxyaniline?
The IUPAC name of N,2-dichloro-N-phenoxyaniline (CID 139746475) is N,2-dichloro-N-phenoxyaniline.
What is the SMILES notation for N,2-dichloro-N-phenoxyaniline?
The canonical SMILES for N,2-dichloro-N-phenoxyaniline is Clc1ccccc1N(Cl)Oc1ccccc1.
What is the InChIKey of N,2-dichloro-N-phenoxyaniline?
The InChIKey is SPUIGSJUZBFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2NO/c13-11-8-4-5-9-12(11)15(14)16-10-6-2-1-3-7-10/h1-9H.
What are the key properties of N,2-dichloro-N-phenoxyaniline?
N,2-dichloro-N-phenoxyaniline has a molecular weight of 254.12 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dichloro-N-phenoxyaniline is sourced from PubChem (CID 139746475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).