2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide

C13H13ClN4O3 — CID 56798550

IUPAC2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
SMILESNC(=O)C(NC(=O)Cn1ccc2ccc(Cl)cc21)C(N)=O
InChIInChI=1S/C13H13ClN4O3/c14-8-2-1-7-3-4-18(9(7)5-8)6-10(19)17-11(12(15)20)13(16)21/h1-5,11H,6H2,(H2,15,20)(H2,16,21)(H,17,19)
InChIKeyYHPFGAUMQDXBSQ-UHFFFAOYSA-N
MW308.73 g/mol
LogP-0.25
Rot. Bonds5

About 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide

2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide (PubChem CID 56798550) has the molecular formula C13H13ClN4O3 and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide.

Molecular Properties

Compound Name2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
PubChem CID56798550
Molecular FormulaC13H13ClN4O3
Molecular Weight308.73 g/mol
Exact Mass308.07
IUPAC Name2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
SMILESNC(=O)C(NC(=O)Cn1ccc2ccc(Cl)cc21)C(N)=O
InChIInChI=1S/C13H13ClN4O3/c14-8-2-1-7-3-4-18(9(7)5-8)6-10(19)17-11(12(15)20)13(16)21/h1-5,11H,6H2,(H2,15,20)(H2,16,21)(H,17,19)
InChIKeyYHPFGAUMQDXBSQ-UHFFFAOYSA-N
XLogP-0.25
TPSA120.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
5-(6-chloroindol-1-yl)pentanamide
CID 114281787
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781
(1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate
CID 166284057
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
CID 51091479

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide?
The IUPAC name of 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide (CID 56798550) is 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide.
What is the SMILES notation for 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide?
The canonical SMILES for 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide is NC(=O)C(NC(=O)Cn1ccc2ccc(Cl)cc21)C(N)=O.
What is the InChIKey of 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide?
The InChIKey is YHPFGAUMQDXBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O3/c14-8-2-1-7-3-4-18(9(7)5-8)6-10(19)17-11(12(15)20)13(16)21/h1-5,11H,6H2,(H2,15,20)(H2,16,21)(H,17,19).
What are the key properties of 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide?
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide has a molecular weight of 308.73 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide is sourced from PubChem (CID 56798550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).