3-(1H-indol-3-ylmethylamino)benzamide

C16H15N3O — CID 60680190

IUPAC3-(1H-indol-3-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H15N3O/c17-16(20)11-4-3-5-13(8-11)18-9-12-10-19-15-7-2-1-6-14(12)15/h1-8,10,18-19H,9H2,(H2,17,20)
InChIKeyHRKMXHSPFZHHMV-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.88
Rot. Bonds4

About 3-(1H-indol-3-ylmethylamino)benzamide

3-(1H-indol-3-ylmethylamino)benzamide (PubChem CID 60680190) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(1H-indol-3-ylmethylamino)benzamide.

Molecular Properties

Compound Name3-(1H-indol-3-ylmethylamino)benzamide
PubChem CID60680190
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name3-(1H-indol-3-ylmethylamino)benzamide
SMILESNC(=O)c1cccc(NCc2c[nH]c3ccccc23)c1
InChIInChI=1S/C16H15N3O/c17-16(20)11-4-3-5-13(8-11)18-9-12-10-19-15-7-2-1-6-14(12)15/h1-8,10,18-19H,9H2,(H2,17,20)
InChIKeyHRKMXHSPFZHHMV-UHFFFAOYSA-N
XLogP2.88
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(1H-indol-3-ylmethylamino)-N-methylbenzamide
CID 60681537
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
3-(quinolin-4-ylmethylamino)benzamide
CID 63868510
3-(1H-pyrrolo[2,3-b]pyridin-4-ylmethylamino)benzamide
CID 166205015
3-[1-(1H-indol-3-ylmethyl)pyrrolidin-3-yl]benzamide
CID 155258172
3-(carbamoylamino)-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 26245340
3-(1H-indol-3-ylmethylamino)-2,2-dimethylpropanamide
CID 103617257
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955626
3-[[2-(trifluoromethyl)phenyl]methylamino]benzamide
CID 28650471
4-bromo-N-(1H-indol-3-ylmethyl)-3-nitroaniline
CID 79754427
4-bromo-N-(1H-indol-3-ylmethyl)aniline
CID 672214

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-ylmethylamino)benzamide?
The IUPAC name of 3-(1H-indol-3-ylmethylamino)benzamide (CID 60680190) is 3-(1H-indol-3-ylmethylamino)benzamide.
What is the SMILES notation for 3-(1H-indol-3-ylmethylamino)benzamide?
The canonical SMILES for 3-(1H-indol-3-ylmethylamino)benzamide is NC(=O)c1cccc(NCc2c[nH]c3ccccc23)c1.
What is the InChIKey of 3-(1H-indol-3-ylmethylamino)benzamide?
The InChIKey is HRKMXHSPFZHHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c17-16(20)11-4-3-5-13(8-11)18-9-12-10-19-15-7-2-1-6-14(12)15/h1-8,10,18-19H,9H2,(H2,17,20).
What are the key properties of 3-(1H-indol-3-ylmethylamino)benzamide?
3-(1H-indol-3-ylmethylamino)benzamide has a molecular weight of 265.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-ylmethylamino)benzamide is sourced from PubChem (CID 60680190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).