2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

C21H15ClF3N3O2 — CID 68846956

IUPAC2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccncc1NC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C21H15ClF3N3O2/c1-12-7-8-26-11-18(12)28-20(30)16-10-15(5-6-17(16)22)27-19(29)13-3-2-4-14(9-13)21(23,24)25/h2-11H,1H3,(H,27,29)(H,28,30)
InChIKeyFXOJOBFYOUHRNC-UHFFFAOYSA-N
MW433.82 g/mol
LogP5.57
Rot. Bonds4

About 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide

2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (PubChem CID 68846956) has the molecular formula C21H15ClF3N3O2 and a molecular weight of 433.82 g/mol. Its IUPAC name is 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
PubChem CID68846956
Molecular FormulaC21H15ClF3N3O2
Molecular Weight433.82 g/mol
Exact Mass433.08
IUPAC Name2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
SMILESCc1ccncc1NC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl
InChIInChI=1S/C21H15ClF3N3O2/c1-12-7-8-26-11-18(12)28-20(30)16-10-15(5-6-17(16)22)27-19(29)13-3-2-4-14(9-13)21(23,24)25/h2-11H,1H3,(H,27,29)(H,28,30)
InChIKeyFXOJOBFYOUHRNC-UHFFFAOYSA-N
XLogP5.57
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.82
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(pyridin-3-ylamino)pyrimidin-5-yl]-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 24961098
2-chloro-N-(5-pyrrol-1-yl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845248
N-[4-chloro-3-(methylamino)phenyl]-3-(trifluoromethyl)benzamide
CID 143609640
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-chloro-N-(2-cyclopropyl-1,3-thiazol-5-yl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 44562061
N-(5-methoxy-3-pyridinyl)-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68845366
5-amino-2-chloro-N-(4-methyl-3-pyridinyl)benzamide
CID 55202646
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 167803256
4-(methylamino)-2-methylsulfonyl-N-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]phenyl]pyrimidine-5-carboxamide
CID 122633671
N-(2-chloro-5-methyl-3-pyridinyl)-3-(trifluoromethyl)benzamide
CID 102979678
N-[5-(3-hydroxyprop-1-ynyl)-3-pyridinyl]-2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 68847130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The IUPAC name of 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide (CID 68846956) is 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide.
What is the SMILES notation for 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The canonical SMILES for 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is Cc1ccncc1NC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1Cl.
What is the InChIKey of 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
The InChIKey is FXOJOBFYOUHRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O2/c1-12-7-8-26-11-18(12)28-20(30)16-10-15(5-6-17(16)22)27-19(29)13-3-2-4-14(9-13)21(23,24)25/h2-11H,1H3,(H,27,29)(H,28,30).
What are the key properties of 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide?
2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide has a molecular weight of 433.82 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methyl-3-pyridinyl)-5-[[3-(trifluoromethyl)benzoyl]amino]benzamide is sourced from PubChem (CID 68846956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).