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

C14H12BrClF2N2 — CID 114843404

IUPACN-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)c(Br)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H12BrClF2N2/c15-11-6-9(2-4-13(11)18)20-14(7-19)10-5-8(16)1-3-12(10)17/h1-6,14,20H,7,19H2
InChIKeyJWWNRQGURQNNSW-UHFFFAOYSA-N
MW361.62 g/mol
LogP4.49
Rot. Bonds4

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

N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine (PubChem CID 114843404) has the molecular formula C14H12BrClF2N2 and a molecular weight of 361.62 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
PubChem CID114843404
Molecular FormulaC14H12BrClF2N2
Molecular Weight361.62 g/mol
Exact Mass359.98
IUPAC NameN-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(F)c(Br)c1)c1cc(Cl)ccc1F
InChIInChI=1S/C14H12BrClF2N2/c15-11-6-9(2-4-13(11)18)20-14(7-19)10-5-8(16)1-3-12(10)17/h1-6,14,20H,7,19H2
InChIKeyJWWNRQGURQNNSW-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

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

1-(5-chloro-2-fluorophenyl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine
CID 114843402
N-(3-bromo-4-fluorophenyl)-1-(4-fluorophenyl)ethane-1,2-diamine
CID 104776408
N-(3-bromo-4-fluorophenyl)-1-(2-cyclopropylphenyl)ethane-1,2-diamine
CID 104776277
N-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethane-1,2-diamine
CID 104776437
1-(4-bromo-2-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 65384893
1-(2-bromo-5-chlorophenyl)-N-(4-methoxyphenyl)ethane-1,2-diamine
CID 66158421
N-(3-chloro-4-methylphenyl)-1-(2,5-difluorophenyl)ethane-1,2-diamine
CID 104721773
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280
2-N-(3-bromo-4-fluorophenyl)-3-methylbutane-1,2-diamine
CID 104776446
1-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
1-(2,5-difluorophenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377552
N-(4-bromophenyl)-1-(2-fluorophenyl)ethane-1,2-diamine
CID 65385341

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine (CID 114843404) is N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine is NCC(Nc1ccc(F)c(Br)c1)c1cc(Cl)ccc1F.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine?
The InChIKey is JWWNRQGURQNNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClF2N2/c15-11-6-9(2-4-13(11)18)20-14(7-19)10-5-8(16)1-3-12(10)17/h1-6,14,20H,7,19H2.
What are the key properties of N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine?
N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-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 N-(3-bromo-4-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 114843404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).