(1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate

C15H15ClN2O3 — CID 166284057

IUPAC(1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate
SMILESNC(=O)C1(COC(=O)Cn2ccc3ccc(Cl)cc32)CC1
InChIInChI=1S/C15H15ClN2O3/c16-11-2-1-10-3-6-18(12(10)7-11)8-13(19)21-9-15(4-5-15)14(17)20/h1-3,6-7H,4-5,8-9H2,(H2,17,20)
InChIKeyUZSMBKDKKVHKQI-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.10
Rot. Bonds5

About (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate

(1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate (PubChem CID 166284057) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate.

Molecular Properties

Compound Name(1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate
PubChem CID166284057
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name(1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate
SMILESNC(=O)C1(COC(=O)Cn2ccc3ccc(Cl)cc32)CC1
InChIInChI=1S/C15H15ClN2O3/c16-11-2-1-10-3-6-18(12(10)7-11)8-13(19)21-9-15(4-5-15)14(17)20/h1-3,6-7H,4-5,8-9H2,(H2,17,20)
InChIKeyUZSMBKDKKVHKQI-UHFFFAOYSA-N
XLogP2.10
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(6-chloroindol-1-yl)acetyl]-3-hydroxypiperidine-3-carboxamide
CID 129485947
2-[[2-(6-chloroindol-1-yl)acetyl]amino]propanediamide
CID 56798550
5-(6-chloroindol-1-yl)pentanamide
CID 114281787
2-(6-chloroindol-1-yl)-1-cyclopentylethanone
CID 104751262
2-(6-chloroindol-1-yl)-N-cyclopentylacetamide
CID 39339466
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
2-(6-chloroindol-1-yl)-N-cyclohexylacetamide
CID 115590568
N-carbamoyl-2-(5-chloroindol-1-yl)acetamide
CID 116623133
2-(6-chloroindol-1-yl)-1-(2-methylphenyl)ethanone
CID 62024325
2-(6-chloroindol-1-yl)-N-(4-fluorophenyl)acetamide
CID 115590572
2-(6-chloroindol-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 39036168
(3R)-1-[2-(6-chloroindol-1-yl)acetyl]pyrrolidine-3-carboxamide
CID 94467337

Frequently Asked Questions

What is the IUPAC name of (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate?
The IUPAC name of (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate (CID 166284057) is (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate.
What is the SMILES notation for (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate?
The canonical SMILES for (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate is NC(=O)C1(COC(=O)Cn2ccc3ccc(Cl)cc32)CC1.
What is the InChIKey of (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate?
The InChIKey is UZSMBKDKKVHKQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c16-11-2-1-10-3-6-18(12(10)7-11)8-13(19)21-9-15(4-5-15)14(17)20/h1-3,6-7H,4-5,8-9H2,(H2,17,20).
What are the key properties of (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate?
(1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate has a molecular weight of 306.75 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-carbamoylcyclopropyl)methyl 2-(6-chloroindol-1-yl)acetate is sourced from PubChem (CID 166284057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).