2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide

C25H21Cl2F3N4O3 — CID 13298324

IUPAC2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide
SMILESCC(C)(C)C(=O)N(c1ccc(C(F)(F)F)cn1)c1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C25H21Cl2F3N4O3/c1-24(2,3)22(36)34(20-11-8-14(13-31-20)25(28,29)30)19-10-9-15(12-18(19)27)32-23(37)33-21(35)16-6-4-5-7-17(16)26/h4-13H,1-3H3,(H2,32,33,35,37)
InChIKeyLLICELIWANBGNM-UHFFFAOYSA-N
MW553.37 g/mol
LogP7.08
Rot. Bonds4

About 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide

2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide (PubChem CID 13298324) has the molecular formula C25H21Cl2F3N4O3 and a molecular weight of 553.37 g/mol. Its IUPAC name is 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide
PubChem CID13298324
Molecular FormulaC25H21Cl2F3N4O3
Molecular Weight553.37 g/mol
Exact Mass552.09
IUPAC Name2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide
SMILESCC(C)(C)C(=O)N(c1ccc(C(F)(F)F)cn1)c1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1Cl
InChIInChI=1S/C25H21Cl2F3N4O3/c1-24(2,3)22(36)34(20-11-8-14(13-31-20)25(28,29)30)19-10-9-15(12-18(19)27)32-23(37)33-21(35)16-6-4-5-7-17(16)26/h4-13H,1-3H3,(H2,32,33,35,37)
InChIKeyLLICELIWANBGNM-UHFFFAOYSA-N
XLogP7.08
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.37
LogP ≤ 57.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide with MolForge

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Related Compounds

2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-chloro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 2064029
2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 12878239
2-chloro-N-[(3-chloro-4-phenylphenyl)carbamoyl]benzamide
CID 134092649
2-chloro-N-[[3-(trifluoromethyl)phenyl]carbamoyl]pyridine-3-carboxamide
CID 162621094
2-chloro-6-hydroxy-N-[[4-(trifluoromethyl)phenyl]carbamoyl]benzamide
CID 19808580
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
2-chloro-N-[[6-methyl-5-[3-(trifluoromethyl)phenyl]pyrazin-2-yl]carbamoyl]benzamide
CID 13341094
N-[[6-[3,5-bis(trifluoromethyl)phenyl]sulfanyl-3-pyridinyl]carbamoyl]-2,6-dichlorobenzamide
CID 12912782
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide?
The IUPAC name of 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide (CID 13298324) is 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide?
The canonical SMILES for 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide is CC(C)(C)C(=O)N(c1ccc(C(F)(F)F)cn1)c1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide?
The InChIKey is LLICELIWANBGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F3N4O3/c1-24(2,3)22(36)34(20-11-8-14(13-31-20)25(28,29)30)19-10-9-15(12-18(19)27)32-23(37)33-21(35)16-6-4-5-7-17(16)26/h4-13H,1-3H3,(H2,32,33,35,37).
What are the key properties of 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide?
2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide has a molecular weight of 553.37 g/mol, XLogP of 7.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-chloro-4-[2,2-dimethylpropanoyl-[5-(trifluoromethyl)-2-pyridinyl]amino]phenyl]carbamoyl]benzamide is sourced from PubChem (CID 13298324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).