4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide

C17H17N3O — CID 60985220

IUPAC4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H17N3O/c1-18-17(21)13-4-2-12(3-5-13)11-20-15-6-7-16-14(10-15)8-9-19-16/h2-10,19-20H,11H2,1H3,(H,18,21)
InChIKeyIYRGDKLUCAGNIW-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.14
Rot. Bonds4

About 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide

4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide (PubChem CID 60985220) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
PubChem CID60985220
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2ccc3[nH]ccc3c2)cc1
InChIInChI=1S/C17H17N3O/c1-18-17(21)13-4-2-12(3-5-13)11-20-15-6-7-16-14(10-15)8-9-19-16/h2-10,19-20H,11H2,1H3,(H,18,21)
InChIKeyIYRGDKLUCAGNIW-UHFFFAOYSA-N
XLogP3.14
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
4-[(3,4-dimethylanilino)methyl]-N-methylbenzamide
CID 60961314
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-1H-indol-5-amine
CID 82538568
4-[[4-(methylcarbamoyl)anilino]methyl]benzamide
CID 43232718
2-chloro-4-(1H-indol-5-ylmethylamino)phenol
CID 107678050
N-methyl-4-[(3-methylsulfanylanilino)methyl]benzamide
CID 60961432
4-[[(3-chloro-1,4-dihydroxy-1,4-dihydronaphthalen-2-yl)amino]methyl]-N-(1H-indol-5-yl)benzamide
CID 175350326
2-chloro-5-(1H-indol-5-ylmethylamino)benzamide
CID 102909673
N-methyl-4-[(4-propylanilino)methyl]benzamide
CID 60980914
2,6-difluoro-4-[(1H-indol-5-ylamino)methyl]phenol
CID 79886052
N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
CID 62758577

Frequently Asked Questions

What is the IUPAC name of 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide (CID 60985220) is 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNc2ccc3[nH]ccc3c2)cc1.
What is the InChIKey of 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide?
The InChIKey is IYRGDKLUCAGNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-18-17(21)13-4-2-12(3-5-13)11-20-15-6-7-16-14(10-15)8-9-19-16/h2-10,19-20H,11H2,1H3,(H,18,21).
What are the key properties of 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide?
4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide has a molecular weight of 279.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1H-indol-5-ylamino)methyl]-N-methylbenzamide is sourced from PubChem (CID 60985220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).