N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide

C21H28FN3O2 — CID 155525035

IUPACN-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
SMILESCc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NCC1CC1
InChIInChI=1S/C21H28FN3O2/c1-15-18(6-7-24-8-10-27-11-9-24)19-12-17(22)4-5-20(19)25(15)14-21(26)23-13-16-2-3-16/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,23,26)
InChIKeyZSYPFJUAWCUEPV-UHFFFAOYSA-N
MW373.47 g/mol
LogP2.49
Rot. Bonds7

About N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide

N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide (PubChem CID 155525035) has the molecular formula C21H28FN3O2 and a molecular weight of 373.47 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
PubChem CID155525035
Molecular FormulaC21H28FN3O2
Molecular Weight373.47 g/mol
Exact Mass373.22
IUPAC NameN-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide
SMILESCc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NCC1CC1
InChIInChI=1S/C21H28FN3O2/c1-15-18(6-7-24-8-10-27-11-9-24)19-12-17(22)4-5-20(19)25(15)14-21(26)23-13-16-2-3-16/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,23,26)
InChIKeyZSYPFJUAWCUEPV-UHFFFAOYSA-N
XLogP2.49
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.47
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide (CID 155525035) is N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide is Cc1c(CCN2CCOCC2)c2cc(F)ccc2n1CC(=O)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
The InChIKey is ZSYPFJUAWCUEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O2/c1-15-18(6-7-24-8-10-27-11-9-24)19-12-17(22)4-5-20(19)25(15)14-21(26)23-13-16-2-3-16/h4-5,12,16H,2-3,6-11,13-14H2,1H3,(H,23,26).
What are the key properties of N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide?
N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide has a molecular weight of 373.47 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[5-fluoro-2-methyl-3-(2-morpholin-4-ylethyl)indol-1-yl]acetamide is sourced from PubChem (CID 155525035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).