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

C25H21Cl2F3N4O4 — CID 71258509

IUPAC5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide
SMILESCN(C)C(=O)COCc1cc(Cl)cc(C(N)=O)c1NC(=O)c1ccc(C(F)(F)F)cc1-c1ncccc1Cl
InChIInChI=1S/C25H21Cl2F3N4O4/c1-34(2)20(35)12-38-11-13-8-15(26)10-18(23(31)36)21(13)33-24(37)16-6-5-14(25(28,29)30)9-17(16)22-19(27)4-3-7-32-22/h3-10H,11-12H2,1-2H3,(H2,31,36)(H,33,37)
InChIKeyIKTRRQGHKQUCQZ-UHFFFAOYSA-N
MW569.37 g/mol
LogP5.03
Rot. Bonds8

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

5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide (PubChem CID 71258509) has the molecular formula C25H21Cl2F3N4O4 and a molecular weight of 569.37 g/mol. Its IUPAC name is 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide
PubChem CID71258509
Molecular FormulaC25H21Cl2F3N4O4
Molecular Weight569.37 g/mol
Exact Mass568.09
IUPAC Name5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide
SMILESCN(C)C(=O)COCc1cc(Cl)cc(C(N)=O)c1NC(=O)c1ccc(C(F)(F)F)cc1-c1ncccc1Cl
InChIInChI=1S/C25H21Cl2F3N4O4/c1-34(2)20(35)12-38-11-13-8-15(26)10-18(23(31)36)21(13)33-24(37)16-6-5-14(25(28,29)30)9-17(16)22-19(27)4-3-7-32-22/h3-10H,11-12H2,1-2H3,(H2,31,36)(H,33,37)
InChIKeyIKTRRQGHKQUCQZ-UHFFFAOYSA-N
XLogP5.03
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.37
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide with MolForge

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Related Compounds

5-[(Z)-(carbamoylhydrazinylidene)methyl]-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-N,3-dimethylbenzamide
CID 71258952
4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[5-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59673620
N-(3-chloro-2-pyridinyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 103943594
4-(3-chloro-2-pyridinyl)-2-(morpholin-4-ylmethyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 11511257
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110299286
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 90356835
4-(3-chloro-2-pyridinyl)-2,2-dimethyl-6-(trifluoromethyl)-1,3-benzoxazine
CID 19735116
N-(2-carbamoyl-4-chloro-6-methylphenyl)-1-(3-chloro-2-pyridinyl)-2-methyl-3-(trifluoromethyl)-3H-pyrazole-5-carboxamide
CID 170212322
2-bromo-N-(3-chloro-2-pyridinyl)-5-(trifluoromethyl)benzamide
CID 103943464
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
N-[2-bromo-4-(trifluoromethyl)phenyl]-5-chloro-2-hydroxy-3-(2-methoxyethoxymethyl)benzamide
CID 176911559
4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 59672711

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide?
The IUPAC name of 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide (CID 71258509) is 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide?
The canonical SMILES for 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide is CN(C)C(=O)COCc1cc(Cl)cc(C(N)=O)c1NC(=O)c1ccc(C(F)(F)F)cc1-c1ncccc1Cl.
What is the InChIKey of 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide?
The InChIKey is IKTRRQGHKQUCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2F3N4O4/c1-34(2)20(35)12-38-11-13-8-15(26)10-18(23(31)36)21(13)33-24(37)16-6-5-14(25(28,29)30)9-17(16)22-19(27)4-3-7-32-22/h3-10H,11-12H2,1-2H3,(H2,31,36)(H,33,37).
What are the key properties of 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide?
5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide has a molecular weight of 569.37 g/mol, XLogP of 5.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(3-chloro-2-pyridinyl)-4-(trifluoromethyl)benzoyl]amino]-3-[[2-(dimethylamino)-2-oxoethoxy]methyl]benzamide is sourced from PubChem (CID 71258509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).