2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide

C21H15ClF3N3O3 — CID 54087220

IUPAC2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
SMILESCc1nc(NC(=O)NC(=O)c2ccccc2Cl)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15ClF3N3O3/c1-12-15(13-6-8-14(9-7-13)31-21(23,24)25)10-11-18(26-12)27-20(30)28-19(29)16-4-2-3-5-17(16)22/h2-11H,1H3,(H2,26,27,28,29,30)
InChIKeyMRIDVDJQTKCFIS-UHFFFAOYSA-N
MW449.82 g/mol
LogP5.57
Rot. Bonds4

About 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide

2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide (PubChem CID 54087220) has the molecular formula C21H15ClF3N3O3 and a molecular weight of 449.82 g/mol. Its IUPAC name is 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
PubChem CID54087220
Molecular FormulaC21H15ClF3N3O3
Molecular Weight449.82 g/mol
Exact Mass449.08
IUPAC Name2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide
SMILESCc1nc(NC(=O)NC(=O)c2ccccc2Cl)ccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15ClF3N3O3/c1-12-15(13-6-8-14(9-7-13)31-21(23,24)25)10-11-18(26-12)27-20(30)28-19(29)16-4-2-3-5-17(16)22/h2-11H,1H3,(H2,26,27,28,29,30)
InChIKeyMRIDVDJQTKCFIS-UHFFFAOYSA-N
XLogP5.57
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.82
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]urea
CID 149159039
2-chloro-N-[[5-(4-chlorophenyl)-6-methyl-2-pyridinyl]carbamoyl]-6-fluorobenzamide
CID 13242696
2-chloro-N-[[5-(4-ethylphenyl)-6-methylpyrazin-2-yl]carbamoyl]benzamide
CID 13341085
2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
CID 13341094
2-chloro-N-[[3-(difluoromethoxy)-4-[4-(difluoromethoxy)phenyl]phenyl]carbamoyl]benzamide
CID 134087446
N-[[4,6-dimethyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]-2-fluoro-6-methoxybenzamide
CID 56986753
2-chloro-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38257874
2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
2-chloro-5-fluoro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
CID 13251606
2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide;diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-λ5-phosphane
CID 87297594
2-chloro-N-[[4-(2-methyl-1-phenylpropan-2-yl)oxyphenyl]carbamoyl]benzamide
CID 20524420
2-chloro-N-[[6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,3-benzothiazol-2-yl]carbamoyl]benzamide
CID 14441724

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide (CID 54087220) is 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide is Cc1nc(NC(=O)NC(=O)c2ccccc2Cl)ccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide?
The InChIKey is MRIDVDJQTKCFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF3N3O3/c1-12-15(13-6-8-14(9-7-13)31-21(23,24)25)10-11-18(26-12)27-20(30)28-19(29)16-4-2-3-5-17(16)22/h2-11H,1H3,(H2,26,27,28,29,30).
What are the key properties of 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide?
2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide has a molecular weight of 449.82 g/mol, XLogP of 5.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[6-methyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]carbamoyl]benzamide is sourced from PubChem (CID 54087220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).