3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide

C15H18ClN3O2 — CID 51091479

IUPAC3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H18ClN3O2/c1-18(2)15(21)5-7-17-14(20)10-19-8-6-11-3-4-12(16)9-13(11)19/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,17,20)
InChIKeyNFAOKECLSPALAA-UHFFFAOYSA-N
MW307.78 g/mol
LogP1.89
Rot. Bonds5

About 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide

3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide (PubChem CID 51091479) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
PubChem CID51091479
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Name3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCNC(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C15H18ClN3O2/c1-18(2)15(21)5-7-17-14(20)10-19-8-6-11-3-4-12(16)9-13(11)19/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,17,20)
InChIKeyNFAOKECLSPALAA-UHFFFAOYSA-N
XLogP1.89
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-chloroindol-1-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]acetamide
CID 110908781
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-(6-chloroindol-1-yl)-N-[(2,5-dimethylfuran-3-yl)methyl]acetamide
CID 86950555
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-(6-chloroindol-1-yl)-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]acetamide
CID 55997245
2-(6-chloroindol-1-yl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 42655004
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
3-[[2-(6-chloroindol-1-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 119227900
2-(6-chloroindol-1-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55997984

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide (CID 51091479) is 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide is CN(C)C(=O)CCNC(=O)Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide?
The InChIKey is NFAOKECLSPALAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-18(2)15(21)5-7-17-14(20)10-19-8-6-11-3-4-12(16)9-13(11)19/h3-4,6,8-9H,5,7,10H2,1-2H3,(H,17,20).
What are the key properties of 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide?
3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide has a molecular weight of 307.78 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(6-chloroindol-1-yl)acetyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 51091479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).