4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine

C14H13BrF2N2 — CID 66110346

IUPAC4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESCCN(c1ccc(F)cc1)c1cc(F)c(Br)cc1N
InChIInChI=1S/C14H13BrF2N2/c1-2-19(10-5-3-9(16)4-6-10)14-8-12(17)11(15)7-13(14)18/h3-8H,2,18H2,1H3
InChIKeyUDWOKAXWUWVXNO-UHFFFAOYSA-N
MW327.17 g/mol
LogP4.47
Rot. Bonds3

About 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine

4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine (PubChem CID 66110346) has the molecular formula C14H13BrF2N2 and a molecular weight of 327.17 g/mol. Its IUPAC name is 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine
PubChem CID66110346
Molecular FormulaC14H13BrF2N2
Molecular Weight327.17 g/mol
Exact Mass326.02
IUPAC Name4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine
SMILESCCN(c1ccc(F)cc1)c1cc(F)c(Br)cc1N
InChIInChI=1S/C14H13BrF2N2/c1-2-19(10-5-3-9(16)4-6-10)14-8-12(17)11(15)7-13(14)18/h3-8H,2,18H2,1H3
InChIKeyUDWOKAXWUWVXNO-UHFFFAOYSA-N
XLogP4.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.17
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-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

2-N-ethyl-4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
CID 66099523
2-N-ethyl-3,4-difluoro-2-N-(4-fluorophenyl)benzene-1,2-diamine
CID 62533529
3-bromo-4-(N-ethyl-4-fluoroanilino)benzenecarboximidamide
CID 82798791
4-bromo-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66111537
4-bromo-1-N-[3-(diethylamino)propyl]-1-N-ethyl-5-fluorobenzene-1,2-diamine
CID 102991268
3-chloro-1-N-ethyl-1-N-(4-fluorophenyl)benzene-1,2-diamine
CID 104834417
2-(aminomethyl)-N-ethyl-3-fluoro-N-(4-fluorophenyl)aniline
CID 79515822
2-amino-3-(N-ethyl-4-fluoroanilino)benzenesulfonamide
CID 115992626
2-bromo-6-(N-ethyl-4-fluoroanilino)benzoic acid
CID 114888107
2-(aminomethyl)-N-ethyl-N-(4-fluorophenyl)-4-methylaniline
CID 107926166
4-bromo-5-fluoro-1-N-propyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 66109551
1-N,4-N,4-N-triethyl-1-N-phenylbenzene-1,2,4-triamine
CID 28809952

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The IUPAC name of 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine (CID 66110346) is 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine.
What is the SMILES notation for 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The canonical SMILES for 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine is CCN(c1ccc(F)cc1)c1cc(F)c(Br)cc1N.
What is the InChIKey of 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine?
The InChIKey is UDWOKAXWUWVXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrF2N2/c1-2-19(10-5-3-9(16)4-6-10)14-8-12(17)11(15)7-13(14)18/h3-8H,2,18H2,1H3.
What are the key properties of 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine?
4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine has a molecular weight of 327.17 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-ethyl-5-fluoro-1-N-(4-fluorophenyl)benzene-1,2-diamine is sourced from PubChem (CID 66110346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).