1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine

C14H13BrClFN2 — CID 65384893

IUPAC1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Cl)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrClFN2/c15-9-1-6-12(13(17)7-9)14(8-18)19-11-4-2-10(16)3-5-11/h1-7,14,19H,8,18H2
InChIKeyVBZHGHVXIRUUSR-UHFFFAOYSA-N
MW343.63 g/mol
LogP4.35
Rot. Bonds4

About 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine

1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine (PubChem CID 65384893) has the molecular formula C14H13BrClFN2 and a molecular weight of 343.63 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
PubChem CID65384893
Molecular FormulaC14H13BrClFN2
Molecular Weight343.63 g/mol
Exact Mass341.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Cl)cc1)c1ccc(Br)cc1F
InChIInChI=1S/C14H13BrClFN2/c15-9-1-6-12(13(17)7-9)14(8-18)19-11-4-2-10(16)3-5-11/h1-7,14,19H,8,18H2
InChIKeyVBZHGHVXIRUUSR-UHFFFAOYSA-N
XLogP4.35
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.63
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-2-fluorophenyl)-N-(3-fluorophenyl)ethane-1,2-diamine
CID 65383822
N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341
1-(4-bromo-2-fluorophenyl)-N-ethylethane-1,2-diamine
CID 62066396
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
CID 114843404
N-(4-chlorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 65384888
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81145659
N-(4-bromophenyl)-1-(2,3-dichlorophenyl)ethane-1,2-diamine
CID 65385758
1-(4-bromo-3-fluorophenyl)-N-(4-bromophenyl)ethane-1,2-diamine
CID 81437083
4-bromo-1-[bromo-(4-chlorophenyl)methyl]-2-fluorobenzene
CID 63437201
[1-(4-bromo-2-fluorophenyl)-2-(5-bromo-2-fluorophenyl)ethyl]hydrazine
CID 105280917
1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 66158421

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine (CID 65384893) is 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine is NCC(Nc1ccc(Cl)cc1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine?
The InChIKey is VBZHGHVXIRUUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClFN2/c15-9-1-6-12(13(17)7-9)14(8-18)19-11-4-2-10(16)3-5-11/h1-7,14,19H,8,18H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine?
1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine has a molecular weight of 343.63 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 65384893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).