1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine

C13H11Cl2FN2O — CID 107258702

IUPAC1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2cc(Cl)cc(Cl)c2)c(F)cc1N
InChIInChI=1S/C13H11Cl2FN2O/c1-19-13-6-12(10(16)5-11(13)17)18-9-3-7(14)2-8(15)4-9/h2-6,18H,17H2,1H3
InChIKeyLDUIKKMNAMDBNU-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.47
Rot. Bonds3

About 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine

1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine (PubChem CID 107258702) has the molecular formula C13H11Cl2FN2O and a molecular weight of 301.15 g/mol. Its IUPAC name is 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
PubChem CID107258702
Molecular FormulaC13H11Cl2FN2O
Molecular Weight301.15 g/mol
Exact Mass300.02
IUPAC Name1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
SMILESCOc1cc(Nc2cc(Cl)cc(Cl)c2)c(F)cc1N
InChIInChI=1S/C13H11Cl2FN2O/c1-19-13-6-12(10(16)5-11(13)17)18-9-3-7(14)2-8(15)4-9/h2-6,18H,17H2,1H3
InChIKeyLDUIKKMNAMDBNU-UHFFFAOYSA-N
XLogP4.47
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-(3-chloro-4-methoxyphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258678
1-N-(5-chloro-2-methylphenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258741
1-N-(4-chloro-2-iodophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107634307
methyl 2-amino-5-(3,5-dichloroanilino)-4-fluorobenzoate
CID 63425376
2-fluoro-5-methoxy-1-N-(4-methoxy-3-methylphenyl)benzene-1,4-diamine
CID 107258978
2-fluoro-5-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,4-diamine
CID 107643379
1-N-(4-bromo-2-chlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258759
1-N-(3,5-dichlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589866
1-N-[(4-chlorophenyl)methyl]-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258604
1-N-tert-butyl-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258668
1-N-(1-benzothiophen-5-yl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107259351
2-fluoro-1-N-(2-iodophenyl)-5-methoxybenzene-1,4-diamine
CID 107258709

Frequently Asked Questions

What is the IUPAC name of 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The IUPAC name of 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine (CID 107258702) is 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine.
What is the SMILES notation for 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The canonical SMILES for 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine is COc1cc(Nc2cc(Cl)cc(Cl)c2)c(F)cc1N.
What is the InChIKey of 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
The InChIKey is LDUIKKMNAMDBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FN2O/c1-19-13-6-12(10(16)5-11(13)17)18-9-3-7(14)2-8(15)4-9/h2-6,18H,17H2,1H3.
What are the key properties of 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine?
1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine has a molecular weight of 301.15 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine is sourced from PubChem (CID 107258702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).