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

C14H13Cl2FN2 — CID 107364593

IUPACN-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)cc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H13Cl2FN2/c15-10-3-1-2-9(4-10)14(8-18)19-13-6-11(16)5-12(17)7-13/h1-7,14,19H,8,18H2
InChIKeyXUMIPIHBCPLVQV-UHFFFAOYSA-N
MW299.18 g/mol
LogP4.24
Rot. Bonds4

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

N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine (PubChem CID 107364593) has the molecular formula C14H13Cl2FN2 and a molecular weight of 299.18 g/mol. Its IUPAC name is N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
PubChem CID107364593
Molecular FormulaC14H13Cl2FN2
Molecular Weight299.18 g/mol
Exact Mass298.04
IUPAC NameN-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
SMILESNCC(Nc1cc(F)cc(Cl)c1)c1cccc(Cl)c1
InChIInChI=1S/C14H13Cl2FN2/c15-10-3-1-2-9(4-10)14(8-18)19-13-6-11(16)5-12(17)7-13/h1-7,14,19H,8,18H2
InChIKeyXUMIPIHBCPLVQV-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,1-bis(3-chlorophenyl)ethane-1,2-diamine
CID 65383380
N-(3-chloro-5-fluorophenyl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 107364470
N-(3-chloro-5-fluorophenyl)-1-(2,6-dimethylphenyl)ethane-1,2-diamine
CID 107364552
N-(3-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethane-1,2-diamine
CID 107364606
N-(3-chloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethane-1,2-diamine
CID 107364475
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495
N-(4-bromo-3,5-dimethylphenyl)-1-(3-chlorophenyl)ethane-1,2-diamine
CID 107573232
N-(3-chloro-5-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethane-1,2-diamine
CID 107364594
N-(3-chloro-5-fluorophenyl)-1-(2-ethylphenyl)ethane-1,2-diamine
CID 107364446
3-[[2-amino-1-(3-chlorophenyl)ethyl]amino]propan-1-ol
CID 65377403
1-(3,5-dichlorophenyl)-N-phenylethane-1,2-diamine
CID 65380315
N-[1-(3-chlorophenyl)ethyl]-3,5-difluoroaniline
CID 43094786

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine?
The IUPAC name of N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine (CID 107364593) is N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine.
What is the SMILES notation for N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine?
The canonical SMILES for N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine is NCC(Nc1cc(F)cc(Cl)c1)c1cccc(Cl)c1.
What is the InChIKey of N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine?
The InChIKey is XUMIPIHBCPLVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2FN2/c15-10-3-1-2-9(4-10)14(8-18)19-13-6-11(16)5-12(17)7-13/h1-7,14,19H,8,18H2.
What are the key properties of N-(3-chloro-5-fluorophenyl)-1-(3-chlorophenyl)ethane-1,2-diamine?
N-(3-chloro-5-fluorophenyl)-1-(3-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-(3-chlorophenyl)ethane-1,2-diamine is sourced from PubChem (CID 107364593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).