4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide

C23H21ClF3N3O3 — CID 59672711

IUPAC4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCOCCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1cc(OC)cc(C(F)(F)F)c1
InChIInChI=1S/C23H21ClF3N3O3/c1-32-9-8-28-20-10-14(21-19(24)4-3-7-29-21)5-6-18(20)22(31)30-16-11-15(23(25,26)27)12-17(13-16)33-2/h3-7,10-13,28H,8-9H2,1-2H3,(H,30,31)
InChIKeyQSFJAFUDFWNWMN-UHFFFAOYSA-N
MW479.89 g/mol
LogP5.74
Rot. Bonds8

About 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide

4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide (PubChem CID 59672711) has the molecular formula C23H21ClF3N3O3 and a molecular weight of 479.89 g/mol. Its IUPAC name is 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
PubChem CID59672711
Molecular FormulaC23H21ClF3N3O3
Molecular Weight479.89 g/mol
Exact Mass479.12
IUPAC Name4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
SMILESCOCCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1cc(OC)cc(C(F)(F)F)c1
InChIInChI=1S/C23H21ClF3N3O3/c1-32-9-8-28-20-10-14(21-19(24)4-3-7-29-21)5-6-18(20)22(31)30-16-11-15(23(25,26)27)12-17(13-16)33-2/h3-7,10-13,28H,8-9H2,1-2H3,(H,30,31)
InChIKeyQSFJAFUDFWNWMN-UHFFFAOYSA-N
XLogP5.74
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.89
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide (CID 59672711) is 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide is COCCNc1cc(-c2ncccc2Cl)ccc1C(=O)Nc1cc(OC)cc(C(F)(F)F)c1.
What is the InChIKey of 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide?
The InChIKey is QSFJAFUDFWNWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClF3N3O3/c1-32-9-8-28-20-10-14(21-19(24)4-3-7-29-21)5-6-18(20)22(31)30-16-11-15(23(25,26)27)12-17(13-16)33-2/h3-7,10-13,28H,8-9H2,1-2H3,(H,30,31).
What are the key properties of 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide?
4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide has a molecular weight of 479.89 g/mol, XLogP of 5.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 59672711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).