4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide

C18H17N3O2 — CID 110703916

IUPAC4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide
SMILESCc1cc2cc(CC(=O)Nc3ccc(C(N)=O)cc3)ccc2[nH]1
InChIInChI=1S/C18H17N3O2/c1-11-8-14-9-12(2-7-16(14)20-11)10-17(22)21-15-5-3-13(4-6-15)18(19)23/h2-9,20H,10H2,1H3,(H2,19,23)(H,21,22)
InChIKeyYHUVKTWAFOQBNP-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.76
Rot. Bonds4

About 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide

4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide (PubChem CID 110703916) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide
PubChem CID110703916
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide
SMILESCc1cc2cc(CC(=O)Nc3ccc(C(N)=O)cc3)ccc2[nH]1
InChIInChI=1S/C18H17N3O2/c1-11-8-14-9-12(2-7-16(14)20-11)10-17(22)21-15-5-3-13(4-6-15)18(19)23/h2-9,20H,10H2,1H3,(H2,19,23)(H,21,22)
InChIKeyYHUVKTWAFOQBNP-UHFFFAOYSA-N
XLogP2.76
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(methylamino)-N-(2-methyl-1H-indol-5-yl)acetamide
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4-[[2-[4-(aminomethyl)phenyl]acetyl]amino]benzamide
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CID 118078535
4-[[2-(3-chlorophenyl)acetyl]amino]benzamide
CID 56922735
4-[[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]amino]benzamide
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4-[[2-(1H-pyrrol-3-yl)acetyl]amino]benzamide
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4-fluoro-N-[(2-methyl-1H-indol-5-yl)methyl]benzamide
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2-(2-methyl-1H-indol-6-yl)acetamide
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CID 62387543

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide?
The IUPAC name of 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide (CID 110703916) is 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide is Cc1cc2cc(CC(=O)Nc3ccc(C(N)=O)cc3)ccc2[nH]1.
What is the InChIKey of 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide?
The InChIKey is YHUVKTWAFOQBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-14-9-12(2-7-16(14)20-11)10-17(22)21-15-5-3-13(4-6-15)18(19)23/h2-9,20H,10H2,1H3,(H2,19,23)(H,21,22).
What are the key properties of 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide?
4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide has a molecular weight of 307.35 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methyl-1H-indol-5-yl)acetyl]amino]benzamide is sourced from PubChem (CID 110703916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).