2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide

C17H15Cl2F3N4O2 — CID 27888885

IUPAC2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H15Cl2F3N4O2/c18-12-4-2-1-3-11(12)16(28)26-9-14(27)23-5-6-24-15-13(19)7-10(8-25-15)17(20,21)22/h1-4,7-8H,5-6,9H2,(H,23,27)(H,24,25)(H,26,28)
InChIKeyCIVFZEOFPQEPPY-UHFFFAOYSA-N
MW435.23 g/mol
LogP3.37
Rot. Bonds7

About 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide

2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide (PubChem CID 27888885) has the molecular formula C17H15Cl2F3N4O2 and a molecular weight of 435.23 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide
PubChem CID27888885
Molecular FormulaC17H15Cl2F3N4O2
Molecular Weight435.23 g/mol
Exact Mass434.05
IUPAC Name2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)NCCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C17H15Cl2F3N4O2/c18-12-4-2-1-3-11(12)16(28)26-9-14(27)23-5-6-24-15-13(19)7-10(8-25-15)17(20,21)22/h1-4,7-8H,5-6,9H2,(H,23,27)(H,24,25)(H,26,28)
InChIKeyCIVFZEOFPQEPPY-UHFFFAOYSA-N
XLogP3.37
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.23
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(trifluoromethyl)benzamide
CID 27888731
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-iodobenzamide
CID 26373720
2-aminooxy-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]acetamide;hydrochloride
CID 18526045
N-(2-aminoethyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide
CID 119383283
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-3-phenylimidazole-4-carboxamide
CID 27888825
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 26373641
2-[[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]acetyl]amino]acetic acid
CID 43465671
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-4-(5-methylthiophen-2-yl)-4-oxobutanamide
CID 26373754
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2H-benzotriazole-5-carboxamide
CID 32642523
N-(2-amino-2-methylpropyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]propanamide;dihydrochloride
CID 119627496
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 142503793
2-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]benzene-1,2-diamine
CID 2783012

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide (CID 27888885) is 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)NCCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide?
The InChIKey is CIVFZEOFPQEPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2F3N4O2/c18-12-4-2-1-3-11(12)16(28)26-9-14(27)23-5-6-24-15-13(19)7-10(8-25-15)17(20,21)22/h1-4,7-8H,5-6,9H2,(H,23,27)(H,24,25)(H,26,28).
What are the key properties of 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide has a molecular weight of 435.23 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 27888885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).