3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide

C23H23FN4O4 — CID 71020305

IUPAC3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
SMILESCCN(CCNC(=O)c1ccccc1)C(=O)C(=O)c1c[nH]c2c(C(=O)NC)ccc(F)c12
InChIInChI=1S/C23H23FN4O4/c1-3-28(12-11-26-21(30)14-7-5-4-6-8-14)23(32)20(29)16-13-27-19-15(22(31)25-2)9-10-17(24)18(16)19/h4-10,13,27H,3,11-12H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyZGRRRKWUPAHDOH-UHFFFAOYSA-N
MW438.46 g/mol
LogP2.13
Rot. Bonds8

About 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide

3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide (PubChem CID 71020305) has the molecular formula C23H23FN4O4 and a molecular weight of 438.46 g/mol. Its IUPAC name is 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
PubChem CID71020305
Molecular FormulaC23H23FN4O4
Molecular Weight438.46 g/mol
Exact Mass438.17
IUPAC Name3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
SMILESCCN(CCNC(=O)c1ccccc1)C(=O)C(=O)c1c[nH]c2c(C(=O)NC)ccc(F)c12
InChIInChI=1S/C23H23FN4O4/c1-3-28(12-11-26-21(30)14-7-5-4-6-8-14)23(32)20(29)16-13-27-19-15(22(31)25-2)9-10-17(24)18(16)19/h4-10,13,27H,3,11-12H2,1-2H3,(H,25,31)(H,26,30)
InChIKeyZGRRRKWUPAHDOH-UHFFFAOYSA-N
XLogP2.13
TPSA111.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.46
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-methyl-3-oxaldehydoyl-1H-indole-7-carboxamide
CID 142845128
N-[2-[[2-(4-fluoro-1H-indol-3-yl)-2-oxoacetyl]-methylamino]ethyl]-N-methylbenzamide
CID 45485555
N-[2-[[2-[4-fluoro-7-[5-(trichloromethyl)-1,3,4-oxadiazol-2-yl]-1H-indol-3-yl]-2-oxoacetyl]amino]ethyl]benzamide
CID 163998066
N-[2-[[2-(7-bromo-4-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]-ethylamino]ethyl]-N-methylbenzamide
CID 89080650
4-chloro-N-[2-[(4-chlorobenzoyl)-ethylamino]ethyl]benzamide
CID 4570417
N-(2-aminoethyl)benzamide;ethane
CID 143976252
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[3-[3-benzamidopropyl(methyl)amino]propyl]benzamide
CID 67474503
N-[2-[acetyl(3-phenylpropyl)amino]ethyl]-2,3,4-trifluorobenzamide
CID 113056455
N-[2-(methylcarbamoylamino)ethyl]benzamide
CID 47152136
N-[3-[benzyl(ethyl)amino]-3-oxopropyl]benzamide
CID 17154440

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide?
The IUPAC name of 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide (CID 71020305) is 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide.
What is the SMILES notation for 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide?
The canonical SMILES for 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide is CCN(CCNC(=O)c1ccccc1)C(=O)C(=O)c1c[nH]c2c(C(=O)NC)ccc(F)c12.
What is the InChIKey of 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide?
The InChIKey is ZGRRRKWUPAHDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O4/c1-3-28(12-11-26-21(30)14-7-5-4-6-8-14)23(32)20(29)16-13-27-19-15(22(31)25-2)9-10-17(24)18(16)19/h4-10,13,27H,3,11-12H2,1-2H3,(H,25,31)(H,26,30).
What are the key properties of 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide?
3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide has a molecular weight of 438.46 g/mol, XLogP of 2.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-benzamidoethyl(ethyl)amino]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide is sourced from PubChem (CID 71020305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).