N-carbamoyl-2-(5-chloroindol-1-yl)acetamide

C11H10ClN3O2 — CID 116623133

IUPACN-carbamoyl-2-(5-chloroindol-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1ccc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClN3O2/c12-8-1-2-9-7(5-8)3-4-15(9)6-10(16)14-11(13)17/h1-5H,6H2,(H3,13,14,16,17)
InChIKeyXETGRDFXKYOVSC-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.49
Rot. Bonds2

About N-carbamoyl-2-(5-chloroindol-1-yl)acetamide

N-carbamoyl-2-(5-chloroindol-1-yl)acetamide (PubChem CID 116623133) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is N-carbamoyl-2-(5-chloroindol-1-yl)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(5-chloroindol-1-yl)acetamide
PubChem CID116623133
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC NameN-carbamoyl-2-(5-chloroindol-1-yl)acetamide
SMILESNC(=O)NC(=O)Cn1ccc2cc(Cl)ccc21
InChIInChI=1S/C11H10ClN3O2/c12-8-1-2-9-7(5-8)3-4-15(9)6-10(16)14-11(13)17/h1-5H,6H2,(H3,13,14,16,17)
InChIKeyXETGRDFXKYOVSC-UHFFFAOYSA-N
XLogP1.49
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloroindol-1-yl)propanehydrazide
CID 63878514
2-(5-chloroindol-1-yl)-N-(2-methylpropyl)acetamide
CID 39349235
2-[[2-(5-chloroindol-1-yl)acetyl]amino]propanoic acid
CID 53368015
2-(5-chloroindol-1-yl)-N,N-dimethylacetamide
CID 116623166
2-[[2-(5-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371268
2-(5-chloroindol-1-yl)-N-pyridin-3-ylacetamide
CID 39341577
2-(5-chloroindol-1-yl)-N-[(2S)-2-hydroxy-2-phenylethyl]acetamide
CID 39336499
3-(5-chloroindol-1-yl)-2-methylpropanamide
CID 116623102
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
2-(5-bromoindol-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 4571080
2-(5-chloroindol-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 39351923
(2S)-2-amino-3-(5-chloroindol-1-yl)propanoic acid
CID 68889856

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(5-chloroindol-1-yl)acetamide?
The IUPAC name of N-carbamoyl-2-(5-chloroindol-1-yl)acetamide (CID 116623133) is N-carbamoyl-2-(5-chloroindol-1-yl)acetamide.
What is the SMILES notation for N-carbamoyl-2-(5-chloroindol-1-yl)acetamide?
The canonical SMILES for N-carbamoyl-2-(5-chloroindol-1-yl)acetamide is NC(=O)NC(=O)Cn1ccc2cc(Cl)ccc21.
What is the InChIKey of N-carbamoyl-2-(5-chloroindol-1-yl)acetamide?
The InChIKey is XETGRDFXKYOVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-8-1-2-9-7(5-8)3-4-15(9)6-10(16)14-11(13)17/h1-5H,6H2,(H3,13,14,16,17).
What are the key properties of N-carbamoyl-2-(5-chloroindol-1-yl)acetamide?
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide has a molecular weight of 251.67 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(5-chloroindol-1-yl)acetamide is sourced from PubChem (CID 116623133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).