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

C14H13Cl2FN2 — CID 107364606

IUPACN-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)cc(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2FN2/c15-9-5-10(17)7-11(6-9)19-14(8-18)12-3-1-2-4-13(12)16/h1-7,14,19H,8,18H2
InChIKeyHRQSGPHQZOQZAA-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.24
Rot. Bonds4

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

N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine (PubChem CID 107364606) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
PubChem CID107364606
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)cc(Cl)c1)c1ccccc1Cl
InChIInChI=1S/C14H13Cl2FN2/c15-9-5-10(17)7-11(6-9)19-14(8-18)12-3-1-2-4-13(12)16/h1-7,14,19H,8,18H2
InChIKeyHRQSGPHQZOQZAA-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

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Related Compounds

N-(3-chloro-5-fluorophenyl)-1-(2-ethylphenyl)ethane-1,2-diamine
CID 107364446
N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107364593
N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107364552
N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 107364470
2-[1-(3-chloro-5-fluoroanilino)propyl]phenol
CID 104925443
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
N,1-bis(2-chlorophenyl)ethane-1,2-diamine
CID 65377297
2-(3-chloro-5-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 107365115
N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 107364475
1-(5-chloro-2-fluorophenyl)-N-(2-chlorophenyl)ethane-1,2-diamine
CID 114843280
3-chloro-5-fluoro-N-(1-naphthalen-1-ylethyl)aniline
CID 107364114
N-(2-bromophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 65383000

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine (CID 107364606) is N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine is NCC(Nc1cc(F)cc(Cl)c1)c1ccccc1Cl.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine?
The InChIKey is HRQSGPHQZOQZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c15-9-5-10(17)7-11(6-9)19-14(8-18)12-3-1-2-4-13(12)16/h1-7,14,19H,8,18H2.
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine?
N-(3-chloro-5-fluorophenyl)-1-(2-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 N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107364606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).