N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide

C20H20FN3O2 — CID 55555806

IUPACN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCNC(=O)c3ccc(C)c(F)c3)[nH]c2c1
InChIInChI=1S/C20H20FN3O2/c1-12-3-5-14-11-18(24-17(14)9-12)20(26)23-8-7-22-19(25)15-6-4-13(2)16(21)10-15/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHRPIXWYIYANARQ-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.08
Rot. Bonds5

About N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide

N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide (PubChem CID 55555806) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
PubChem CID55555806
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC NameN-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide
SMILESCc1ccc2cc(C(=O)NCCNC(=O)c3ccc(C)c(F)c3)[nH]c2c1
InChIInChI=1S/C20H20FN3O2/c1-12-3-5-14-11-18(24-17(14)9-12)20(26)23-8-7-22-19(25)15-6-4-13(2)16(21)10-15/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyHRPIXWYIYANARQ-UHFFFAOYSA-N
XLogP3.08
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenyl)ethyl]-6-methyl-1H-indole-2-carboxamide
CID 113207305
N-(hydroxymethyl)-6-methyl-1H-indole-2-carboxamide
CID 177170209
6-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1H-indole-2-carboxamide
CID 55555913
ethane;3-fluoro-N-(2-fluoroethyl)-4-methylbenzamide
CID 144686533
N-[2-(cyclopropylamino)ethyl]-3-fluoro-4-methylbenzamide
CID 62664386
3-fluoro-4-methyl-N-[2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]ethyl]benzamide
CID 33321522
6-N-(2-amino-2-oxoethyl)-2-N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-1H-indole-2,6-dicarboxamide
CID 44625343
N-(6-bromohexyl)-3-fluoro-4-methylbenzamide
CID 107847799
3-fluoro-N-[2-[(3-fluorobenzoyl)amino]ethyl]-4-methylbenzamide
CID 33319896
N-[(3-bromo-5-fluorophenyl)methyl]-6-methyl-1H-indole-2-carboxamide
CID 55953581
N-(2,6-dimethylphenyl)-6-methyl-1H-indole-2-carboxamide
CID 113207344
N-(2-hydroxyethyl)-5-methyl-1H-indole-2-carboxamide
CID 89488958

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide?
The IUPAC name of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide (CID 55555806) is N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide is Cc1ccc2cc(C(=O)NCCNC(=O)c3ccc(C)c(F)c3)[nH]c2c1.
What is the InChIKey of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide?
The InChIKey is HRPIXWYIYANARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-3-5-14-11-18(24-17(14)9-12)20(26)23-8-7-22-19(25)15-6-4-13(2)16(21)10-15/h3-6,9-11,24H,7-8H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide?
N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.08, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]-6-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 55555806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).