2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide

C14H15ClN2O — CID 116623818

IUPAC2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESO=C(Cn1ccc2c(Cl)cccc21)NCC1CC1
InChIInChI=1S/C14H15ClN2O/c15-12-2-1-3-13-11(12)6-7-17(13)9-14(18)16-8-10-4-5-10/h1-3,6-7,10H,4-5,8-9H2,(H,16,18)
InChIKeyPSZMRKRWHHHADL-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.82
Rot. Bonds4

About 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide

2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide (PubChem CID 116623818) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
PubChem CID116623818
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide
SMILESO=C(Cn1ccc2c(Cl)cccc21)NCC1CC1
InChIInChI=1S/C14H15ClN2O/c15-12-2-1-3-13-11(12)6-7-17(13)9-14(18)16-8-10-4-5-10/h1-3,6-7,10H,4-5,8-9H2,(H,16,18)
InChIKeyPSZMRKRWHHHADL-UHFFFAOYSA-N
XLogP2.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107919052
2-(4-chloroindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 116623796
6-[[2-(4-chloroindol-1-yl)acetyl]amino]hexanoic acid
CID 45492894
2-(4-chloroindol-1-yl)-N-pyridin-4-ylacetamide
CID 52899114
ethyl 4-[2-(4-chloroindol-1-yl)acetyl]piperazine-1-carboxylate
CID 39313356
(2R)-2-[[2-(4-chloroindol-1-yl)acetyl]amino]-2-phenylacetic acid
CID 45496037
2-(4-chloroindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 71704022
2-(4-chloroindol-1-yl)-N-(3-methyl-2-pyridinyl)acetamide
CID 39334901
2-(4-chloroindol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 39314339
N-(cyclopropylmethyl)-2-[2-(ethylaminomethyl)pyrrol-1-yl]acetamide
CID 66402341
2-[6-(aminomethyl)indol-1-yl]-N-(cyclopropylmethyl)acetamide
CID 102916396
2-(5-cyanoindol-1-yl)-N-(cyclopropylmethyl)acetamide
CID 107920232

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The IUPAC name of 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide (CID 116623818) is 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The canonical SMILES for 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide is O=C(Cn1ccc2c(Cl)cccc21)NCC1CC1.
What is the InChIKey of 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide?
The InChIKey is PSZMRKRWHHHADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-2-1-3-13-11(12)6-7-17(13)9-14(18)16-8-10-4-5-10/h1-3,6-7,10H,4-5,8-9H2,(H,16,18).
What are the key properties of 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide?
2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide has a molecular weight of 262.74 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroindol-1-yl)-N-(cyclopropylmethyl)acetamide is sourced from PubChem (CID 116623818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).