N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide

C20H12ClF4N3O2 — CID 174537026

IUPACN-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(Cl)c(NC(=O)c2ccccc2)c1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H12ClF4N3O2/c21-17-16(28-18(29)11-4-2-1-3-5-11)9-15(10-26-17)27-19(30)12-6-13(20(23,24)25)8-14(22)7-12/h1-10H,(H,27,30)(H,28,29)
InChIKeyJGPZUGQXEDQREP-UHFFFAOYSA-N
MW437.78 g/mol
LogP5.40
Rot. Bonds4

About N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide

N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide (PubChem CID 174537026) has the molecular formula C20H12ClF4N3O2 and a molecular weight of 437.78 g/mol. Its IUPAC name is N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide
PubChem CID174537026
Molecular FormulaC20H12ClF4N3O2
Molecular Weight437.78 g/mol
Exact Mass437.06
IUPAC NameN-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1cnc(Cl)c(NC(=O)c2ccccc2)c1)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C20H12ClF4N3O2/c21-17-16(28-18(29)11-4-2-1-3-5-11)9-15(10-26-17)27-19(30)12-6-13(20(23,24)25)8-14(22)7-12/h1-10H,(H,27,30)(H,28,29)
InChIKeyJGPZUGQXEDQREP-UHFFFAOYSA-N
XLogP5.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.78
LogP ≤ 55.40
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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Related Compounds

N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
N-[3-(carbamoylamino)phenyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 166822202
N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103745352
3-fluoro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]phenyl]benzamide
CID 1207911
N-(5-amino-2-fluorophenyl)-3-fluoro-5-(trifluoromethyl)benzamide
CID 137353811
2-chloro-5-fluoro-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87757105
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 167512259
N-[5-(2-chloro-5-fluorophenyl)-7-oxo-5,6-dihydropyrrolo[3,4-b]pyridin-4-yl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 176619662
N-(6-chloro-3-pyridinyl)-4-(trifluoromethyl)benzamide
CID 3719290
N-[3-bromo-5-(trifluoromethyl)phenyl]benzamide
CID 65490452
3-amino-5-fluoro-N-[6-(trifluoromethyl)-3-pyridinyl]benzamide
CID 82792233

Frequently Asked Questions

What is the IUPAC name of N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide?
The IUPAC name of N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide (CID 174537026) is N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide is O=C(Nc1cnc(Cl)c(NC(=O)c2ccccc2)c1)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide?
The InChIKey is JGPZUGQXEDQREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N3O2/c21-17-16(28-18(29)11-4-2-1-3-5-11)9-15(10-26-17)27-19(30)12-6-13(20(23,24)25)8-14(22)7-12/h1-10H,(H,27,30)(H,28,29).
What are the key properties of N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide?
N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide has a molecular weight of 437.78 g/mol, XLogP of 5.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-benzamido-6-chloro-3-pyridinyl)-3-fluoro-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 174537026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).