N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C14H11Cl2F3N4O2 — CID 2765671

IUPACN-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N4O2/c15-9-1-2-11(12(6-9)23(24)25)20-3-4-21-13-10(16)5-8(7-22-13)14(17,18)19/h1-2,5-7,20H,3-4H2,(H,21,22)
InChIKeyOFJYGFQZNQIEGO-UHFFFAOYSA-N
MW395.17 g/mol
LogP4.84
Rot. Bonds6

About N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 2765671) has the molecular formula C14H11Cl2F3N4O2 and a molecular weight of 395.17 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID2765671
Molecular FormulaC14H11Cl2F3N4O2
Molecular Weight395.17 g/mol
Exact Mass394.02
IUPAC NameN-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESO=[N+]([O-])c1cc(Cl)ccc1NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H11Cl2F3N4O2/c15-9-1-2-11(12(6-9)23(24)25)20-3-4-21-13-10(16)5-8(7-22-13)14(17,18)19/h1-2,5-7,20H,3-4H2,(H,21,22)
InChIKeyOFJYGFQZNQIEGO-UHFFFAOYSA-N
XLogP4.84
TPSA80.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.17
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Fluazinam
CID 91731
Fluazinam-2-amino
CID 76308617
N-(3-chloro-4-methylphenyl)-5-nitropyridin-2-amine
CID 3146292
5-chloro-2-nitro-N-(pyridin-3-ylmethyl)aniline
CID 2900579
1-(3,4-Dichlorophenyl)-3-(5-nitropyridin-2-yl)urea
CID 255871
6-Chloro-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1,4-dihydro-2,3-quinoxalinedione
CID 1471936
3,6-dichloro-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2(1H)-quinoxalinone
CID 1471937
N~1~-(2-chloro-6-nitrophenyl)-N~2~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-ethanediamine
CID 2765666
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(2-nitrophenyl)-1,2-ethanediamine
CID 3704436
N~1~-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N~2~-(3-nitro-2-pyridinyl)-1,2-ethanediamine
CID 3773884
6-chloro-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-3-nitropyridin-2-amine
CID 145993995
N-(4-chlorophenyl)-3-nitropyridin-2-amine
CID 3097922

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 2765671) is N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is O=[N+]([O-])c1cc(Cl)ccc1NCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is OFJYGFQZNQIEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F3N4O2/c15-9-1-2-11(12(6-9)23(24)25)20-3-4-21-13-10(16)5-8(7-22-13)14(17,18)19/h1-2,5-7,20H,3-4H2,(H,21,22).
What are the key properties of N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 395.17 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-N'-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 2765671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).