1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

C15H15ClF2N2O — CID 107363630

IUPAC1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(Nc2cc(F)cc(Cl)c2)c(N)cc1F
InChIInChI=1S/C15H15ClF2N2O/c1-8(2)21-15-7-14(13(19)6-12(15)18)20-11-4-9(16)3-10(17)5-11/h3-8,20H,19H2,1-2H3
InChIKeyHZFUWRTUOIXZFB-UHFFFAOYSA-N
MW312.75 g/mol
LogP4.73
Rot. Bonds4

About 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine

1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (PubChem CID 107363630) has the molecular formula C15H15ClF2N2O and a molecular weight of 312.75 g/mol. Its IUPAC name is 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
PubChem CID107363630
Molecular FormulaC15H15ClF2N2O
Molecular Weight312.75 g/mol
Exact Mass312.08
IUPAC Name1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cc(Nc2cc(F)cc(Cl)c2)c(N)cc1F
InChIInChI=1S/C15H15ClF2N2O/c1-8(2)21-15-7-14(13(19)6-12(15)18)20-11-4-9(16)3-10(17)5-11/h3-8,20H,19H2,1-2H3
InChIKeyHZFUWRTUOIXZFB-UHFFFAOYSA-N
XLogP4.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 54.73
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-(4-chloro-2-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593134
1-N-(3-chloro-5-fluorophenyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 107363730
4-chloro-1-N-(3-chloro-5-fluorophenyl)-5-fluorobenzene-1,2-diamine
CID 107363679
1-N-(3-bromophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63592219
4-fluoro-1-N-(2-methylpropyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63592733
1-N-(2-bromo-4-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593995
4-fluoro-1-N-(2-methylphenyl)-5-propan-2-yloxybenzene-1,2-diamine
CID 63593460
2-N-(3-chloro-5-fluorophenyl)-6-propan-2-yloxypyridine-2,5-diamine
CID 107363647
1-N-(3,5-dichlorophenyl)-4-fluoro-5-methylbenzene-1,2-diamine
CID 103589866
1-N-(3,5-dichlorophenyl)-2-fluoro-5-methoxybenzene-1,4-diamine
CID 107258702
1-N-(2-ethylphenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine
CID 63593992
2-(2-amino-4-fluoro-5-propan-2-yloxyanilino)-3-methylbutanamide
CID 106343903

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine (CID 107363630) is 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cc(Nc2cc(F)cc(Cl)c2)c(N)cc1F.
What is the InChIKey of 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is HZFUWRTUOIXZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF2N2O/c1-8(2)21-15-7-14(13(19)6-12(15)18)20-11-4-9(16)3-10(17)5-11/h3-8,20H,19H2,1-2H3.
What are the key properties of 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine?
1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 312.75 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-5-fluorophenyl)-4-fluoro-5-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 107363630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).