sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate

C24H16F3N2NaO3 — CID 68952931

IUPACsodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate
SMILESCn1c(C(=O)[O-])cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21.[Na+]
InChIInChI=1S/C24H17F3N2O3.Na/c1-29-20-11-10-17(12-15(20)13-21(29)23(31)32)28-22(30)19-5-3-2-4-18(19)14-6-8-16(9-7-14)24(25,26)27;/h2-13H,1H3,(H,28,30)(H,31,32);/q;+1/p-1
InChIKeyDWLONIGJWBRCHR-UHFFFAOYSA-M
MW460.39 g/mol
LogP1.48
Rot. Bonds4

About sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate

sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate (PubChem CID 68952931) has the molecular formula C24H16F3N2NaO3 and a molecular weight of 460.39 g/mol. Its IUPAC name is sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate.

Molecular Properties

Compound Namesodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate
PubChem CID68952931
Molecular FormulaC24H16F3N2NaO3
Molecular Weight460.39 g/mol
Exact Mass460.10
IUPAC Namesodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate
SMILESCn1c(C(=O)[O-])cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21.[Na+]
InChIInChI=1S/C24H17F3N2O3.Na/c1-29-20-11-10-17(12-15(20)13-21(29)23(31)32)28-22(30)19-5-3-2-4-18(19)14-6-8-16(9-7-14)24(25,26)27;/h2-13H,1H3,(H,28,30)(H,31,32);/q;+1/p-1
InChIKeyDWLONIGJWBRCHR-UHFFFAOYSA-M
XLogP1.48
TPSA74.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(phenylcarbamoyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70143092
N-(2-dodecyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 70311573
2-[4-(trifluoromethyl)phenyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 29176493
N-[2-(2-phenylethyl)-1,3-dihydroisoindol-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139944375
N-[4-(2-aminoethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 149266248
N-(2-methylphenyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 2121231
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 24657539
N-propan-2-yl-7-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-3-carboxamide
CID 10277298
N-[2-(2-chloro-2-phenylacetyl)-1,3-dihydroisoindol-5-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139944370
N-[3-(2-nitroethenyl)phenyl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 54467924
N-(1-acetyl-2,3-dihydro-1H-isoindol-5-yl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 139944299
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-2-[4-(trifluoromethyl)phenyl]benzamide
CID 30807726

Frequently Asked Questions

What is the IUPAC name of sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate?
The IUPAC name of sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate (CID 68952931) is sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate.
What is the SMILES notation for sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate?
The canonical SMILES for sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate is Cn1c(C(=O)[O-])cc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21.[Na+].
What is the InChIKey of sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate?
The InChIKey is DWLONIGJWBRCHR-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H17F3N2O3.Na/c1-29-20-11-10-17(12-15(20)13-21(29)23(31)32)28-22(30)19-5-3-2-4-18(19)14-6-8-16(9-7-14)24(25,26)27;/h2-13H,1H3,(H,28,30)(H,31,32);/q;+1/p-1.
What are the key properties of sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate?
sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate has a molecular weight of 460.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-methyl-5-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]indole-2-carboxylate is sourced from PubChem (CID 68952931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).