2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine

C13H11ClF2N2O — CID 43329050

IUPAC2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine
SMILESNc1ccc(Nc2ccccc2OC(F)F)c(Cl)c1
InChIInChI=1S/C13H11ClF2N2O/c14-9-7-8(17)5-6-10(9)18-11-3-1-2-4-12(11)19-13(15)16/h1-7,13,18H,17H2
InChIKeyXKKMAOQQMGQVFX-UHFFFAOYSA-N
MW284.69 g/mol
LogP4.27
Rot. Bonds4

About 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine

2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine (PubChem CID 43329050) has the molecular formula C13H11ClF2N2O and a molecular weight of 284.69 g/mol. Its IUPAC name is 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Name2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine
PubChem CID43329050
Molecular FormulaC13H11ClF2N2O
Molecular Weight284.69 g/mol
Exact Mass284.05
IUPAC Name2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine
SMILESNc1ccc(Nc2ccccc2OC(F)F)c(Cl)c1
InChIInChI=1S/C13H11ClF2N2O/c14-9-7-8(17)5-6-10(9)18-11-3-1-2-4-12(11)19-13(15)16/h1-7,13,18H,17H2
InChIKeyXKKMAOQQMGQVFX-UHFFFAOYSA-N
XLogP4.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.69
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-N-(2-chlorophenyl)-2-fluorobenzene-1,4-diamine
CID 29067265
5-bromo-2-[2-(difluoromethoxy)anilino]benzonitrile
CID 114890442
2-N-(3-chloro-2-fluorophenyl)-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
CID 63592041
4-amino-3-[2-(difluoromethoxy)anilino]benzamide
CID 63355916
2-[2-(difluoromethoxy)anilino]-5-methylbenzenecarbothioamide
CID 107928513
4-[2-(difluoromethoxy)anilino]-3-fluorobenzonitrile
CID 43657318
5-amino-N-[2-(difluoromethoxy)phenyl]-2-methylbenzamide
CID 61290396
4-(difluoromethoxy)-5-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
CID 63593633
2-N-[2-(difluoromethoxy)phenyl]-4-methylpyridine-2,5-diamine
CID 79172716
N-[2-(difluoromethoxy)phenyl]-6-hydrazinylpyrimidin-4-amine
CID 80916501
2-chloro-N-[2-(difluoromethoxy)phenyl]pyrimidin-4-amine
CID 62336208
N-[(3,5-dichlorophenyl)methyl]-2-(difluoromethoxy)aniline
CID 60788909

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine?
The IUPAC name of 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine (CID 43329050) is 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine.
What is the SMILES notation for 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine?
The canonical SMILES for 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine is Nc1ccc(Nc2ccccc2OC(F)F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine?
The InChIKey is XKKMAOQQMGQVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2N2O/c14-9-7-8(17)5-6-10(9)18-11-3-1-2-4-12(11)19-13(15)16/h1-7,13,18H,17H2.
What are the key properties of 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine?
2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine has a molecular weight of 284.69 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-N-[2-(difluoromethoxy)phenyl]benzene-1,4-diamine is sourced from PubChem (CID 43329050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).