1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine

C14H12BrClF2N2 — CID 107527797

IUPAC1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)ccc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrClF2N2/c15-10-5-8(1-4-12(10)18)14(7-19)20-13-6-9(17)2-3-11(13)16/h1-6,14,20H,7,19H2
InChIKeyDANGAHKOAZQARN-UHFFFAOYSA-N
MW361.62 g/mol
LogP4.49
Rot. Bonds4

About 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine

1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine (PubChem CID 107527797) has the molecular formula C14H12BrClF2N2 and a molecular weight of 361.62 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
PubChem CID107527797
Molecular FormulaC14H12BrClF2N2
Molecular Weight361.62 g/mol
Exact Mass359.98
IUPAC Name1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)ccc1Cl)c1ccc(F)c(Br)c1
InChIInChI=1S/C14H12BrClF2N2/c15-10-5-8(1-4-12(10)18)14(7-19)20-13-6-9(17)2-3-11(13)16/h1-6,14,20H,7,19H2
InChIKeyDANGAHKOAZQARN-UHFFFAOYSA-N
XLogP4.49
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-5-fluorophenyl)-1-(4-ethylphenyl)ethane-1,2-diamine
CID 107527972
1-(3-bromo-4-fluorophenyl)-N-(2-bromophenyl)ethane-1,2-diamine
CID 65383419
1-(2-bromophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine
CID 107527882
1-(3-bromo-4-chlorophenyl)-N-(2-fluorophenyl)ethane-1,2-diamine
CID 83230125
N-(2-chloro-5-fluorophenyl)-1-(furan-3-yl)ethane-1,2-diamine
CID 107527871
N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 104776408
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
1-(3-chloro-4-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 81146598
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
N-(2-bromophenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 65384259
[1-(3-bromo-4-chlorophenyl)-2-(2-bromo-4-fluorophenyl)ethyl]hydrazine
CID 105260939

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine (CID 107527797) is 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine is NCC(Nc1cc(F)ccc1Cl)c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine?
The InChIKey is DANGAHKOAZQARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF2N2/c15-10-5-8(1-4-12(10)18)14(7-19)20-13-6-9(17)2-3-11(13)16/h1-6,14,20H,7,19H2.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine?
1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine has a molecular weight of 361.62 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-N-(2-chloro-5-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107527797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).