2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide

C14H10ClF4N3O — CID 58155019

IUPAC2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1Nc1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H10ClF4N3O/c1-20-13(23)8-4-7(16)2-3-10(8)22-11-5-12(15)21-6-9(11)14(17,18)19/h2-6H,1H3,(H,20,23)(H,21,22)
InChIKeyGUTKDNPZKATMAV-UHFFFAOYSA-N
MW347.70 g/mol
LogP4.00
Rot. Bonds3

About 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide

2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide (PubChem CID 58155019) has the molecular formula C14H10ClF4N3O and a molecular weight of 347.70 g/mol. Its IUPAC name is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide
PubChem CID58155019
Molecular FormulaC14H10ClF4N3O
Molecular Weight347.70 g/mol
Exact Mass347.04
IUPAC Name2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(F)ccc1Nc1cc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C14H10ClF4N3O/c1-20-13(23)8-4-7(16)2-3-10(8)22-11-5-12(15)21-6-9(11)14(17,18)19/h2-6H,1H3,(H,20,23)(H,21,22)
InChIKeyGUTKDNPZKATMAV-UHFFFAOYSA-N
XLogP4.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.70
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide (CID 58155019) is 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide is CNC(=O)c1cc(F)ccc1Nc1cc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide?
The InChIKey is GUTKDNPZKATMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N3O/c1-20-13(23)8-4-7(16)2-3-10(8)22-11-5-12(15)21-6-9(11)14(17,18)19/h2-6H,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide?
2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide has a molecular weight of 347.70 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(trifluoromethyl)-4-pyridinyl]amino]-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 58155019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).