1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine

C16H16ClF3N4O — CID 143206320

IUPAC1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine
SMILESFC(F)(F)Nc1ccc(Nc2cc(Cl)nc(N3CCOCC3)c2)cc1
InChIInChI=1S/C16H16ClF3N4O/c17-14-9-13(10-15(22-14)24-5-7-25-8-6-24)21-11-1-3-12(4-2-11)23-16(18,19)20/h1-4,9-10,23H,5-8H2,(H,21,22)
InChIKeyNOLAJCDKRQYMOK-UHFFFAOYSA-N
MW372.78 g/mol
LogP4.25
Rot. Bonds4

About 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine

1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine (PubChem CID 143206320) has the molecular formula C16H16ClF3N4O and a molecular weight of 372.78 g/mol. Its IUPAC name is 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine
PubChem CID143206320
Molecular FormulaC16H16ClF3N4O
Molecular Weight372.78 g/mol
Exact Mass372.10
IUPAC Name1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine
SMILESFC(F)(F)Nc1ccc(Nc2cc(Cl)nc(N3CCOCC3)c2)cc1
InChIInChI=1S/C16H16ClF3N4O/c17-14-9-13(10-15(22-14)24-5-7-25-8-6-24)21-11-1-3-12(4-2-11)23-16(18,19)20/h1-4,9-10,23H,5-8H2,(H,21,22)
InChIKeyNOLAJCDKRQYMOK-UHFFFAOYSA-N
XLogP4.25
TPSA49.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine?
The IUPAC name of 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine (CID 143206320) is 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine?
The canonical SMILES for 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine is FC(F)(F)Nc1ccc(Nc2cc(Cl)nc(N3CCOCC3)c2)cc1.
What is the InChIKey of 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine?
The InChIKey is NOLAJCDKRQYMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF3N4O/c17-14-9-13(10-15(22-14)24-5-7-25-8-6-24)21-11-1-3-12(4-2-11)23-16(18,19)20/h1-4,9-10,23H,5-8H2,(H,21,22).
What are the key properties of 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine?
1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine has a molecular weight of 372.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-N-(trifluoromethyl)benzene-1,4-diamine is sourced from PubChem (CID 143206320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).