3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine

C14H14ClFN2O — CID 107363634

IUPAC3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C14H14ClFN2O/c1-2-19-14-7-11(17)6-13(8-14)18-12-4-9(15)3-10(16)5-12/h3-8,18H,2,17H2,1H3
InChIKeyFIDKXRNDBWHONV-UHFFFAOYSA-N
MW280.73 g/mol
LogP4.20
Rot. Bonds4

About 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine

3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine (PubChem CID 107363634) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
PubChem CID107363634
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2cc(F)cc(Cl)c2)c1
InChIInChI=1S/C14H14ClFN2O/c1-2-19-14-7-11(17)6-13(8-14)18-12-4-9(15)3-10(16)5-12/h3-8,18H,2,17H2,1H3
InChIKeyFIDKXRNDBWHONV-UHFFFAOYSA-N
XLogP4.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 54.20
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

5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
CID 80723582
4-N-(3-chloro-5-fluorophenyl)-6-ethoxypyrimidine-4,5-diamine
CID 107363613
5-ethoxy-3-N-(4-methylsulfanylphenyl)benzene-1,3-diamine
CID 80722731
3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107634380
3-N-(4-bromophenyl)-5-ethoxybenzene-1,3-diamine
CID 80721814
3-N-(2,5-dichloro-4-methylphenyl)-5-ethoxybenzene-1,3-diamine
CID 104725826
3-N-(3,5-dichloro-4-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 107571590
(3-chloro-5-ethoxyphenyl)hydrazine
CID 130779146
5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine
CID 80736004
3-N-(4-bromo-2-chlorophenyl)-5-ethoxybenzene-1,3-diamine
CID 80722933
3-N-[(3-chloro-4-fluorophenyl)methyl]-5-ethoxybenzene-1,3-diamine
CID 80740146
3-N-(5-chloro-2-fluorophenyl)-5-propoxybenzene-1,3-diamine
CID 80721719

Frequently Asked Questions

What is the IUPAC name of 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine (CID 107363634) is 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine is CCOc1cc(N)cc(Nc2cc(F)cc(Cl)c2)c1.
What is the InChIKey of 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine?
The InChIKey is FIDKXRNDBWHONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-19-14-7-11(17)6-13(8-14)18-12-4-9(15)3-10(16)5-12/h3-8,18H,2,17H2,1H3.
What are the key properties of 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine?
3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine has a molecular weight of 280.73 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine is sourced from PubChem (CID 107363634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).