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

C14H13Cl2FN2 — CID 81145659

IUPAC1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13Cl2FN2/c15-10-2-4-11(5-3-10)19-14(8-18)9-1-6-13(17)12(16)7-9/h1-7,14,19H,8,18H2
InChIKeyVFVLPXPQDCJJRX-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.24
Rot. Bonds4

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

1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine (PubChem CID 81145659) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
PubChem CID81145659
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC Name1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1
InChIInChI=1S/C14H13Cl2FN2/c15-10-2-4-11(5-3-10)19-14(8-18)9-1-6-13(17)12(16)7-9/h1-7,14,19H,8,18H2
InChIKeyVFVLPXPQDCJJRX-UHFFFAOYSA-N
XLogP4.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.18
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)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-(4-bromo-3-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine
CID 81436862
N-(3-chloro-4-fluorophenyl)-1-phenylethane-1,2-diamine
CID 82133663
1-(3,4-dichlorophenyl)-N-(4-fluorophenyl)ethane-1,2-diamine
CID 65376445
N-(4-chlorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 65384888
1-(3-chloro-4-fluorophenyl)-N-(3-methylphenyl)ethane-1,2-diamine
CID 81144777
1-(4-chloro-3-fluorophenyl)-N-phenylethane-1,2-diamine
CID 65380106
1-(3-chloro-4-fluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 81146229
N-(3-chloro-4-methylphenyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 104721816
1-(3-chloro-4-methylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 106817471
N-(4-chlorophenyl)-1-pyridin-4-ylethane-1,2-diamine
CID 82131042
1-(3-chloro-4-fluorophenyl)-N-(2-fluoro-5-methoxyphenyl)ethane-1,2-diamine
CID 81146598
3-chloro-N-[1-(4-chlorophenyl)propyl]-4-fluoroaniline
CID 43119213

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine (CID 81145659) is 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine is NCC(Nc1ccc(Cl)cc1)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine?
The InChIKey is VFVLPXPQDCJJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c15-10-2-4-11(5-3-10)19-14(8-18)9-1-6-13(17)12(16)7-9/h1-7,14,19H,8,18H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine?
1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine has a molecular weight of 299.18 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-N-(4-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 81145659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).