N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide

C27H34FN3O2 — CID 11465130

IUPACN-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(CC2CCCCC2)C(=O)NCCN2CCc3cc(F)ccc32)c1
InChIInChI=1S/C27H34FN3O2/c1-19-6-5-9-22(16-19)26(32)30-24(17-20-7-3-2-4-8-20)27(33)29-13-15-31-14-12-21-18-23(28)10-11-25(21)31/h5-6,9-11,16,18,20,24H,2-4,7-8,12-15,17H2,1H3,(H,29,33)(H,30,32)
InChIKeyIPVBNVXZAFYSHT-UHFFFAOYSA-N
MW451.59 g/mol
LogP4.38
Rot. Bonds8

About N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide

N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide (PubChem CID 11465130) has the molecular formula C27H34FN3O2 and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
PubChem CID11465130
Molecular FormulaC27H34FN3O2
Molecular Weight451.59 g/mol
Exact Mass451.26
IUPAC NameN-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC(CC2CCCCC2)C(=O)NCCN2CCc3cc(F)ccc32)c1
InChIInChI=1S/C27H34FN3O2/c1-19-6-5-9-22(16-19)26(32)30-24(17-20-7-3-2-4-8-20)27(33)29-13-15-31-14-12-21-18-23(28)10-11-25(21)31/h5-6,9-11,16,18,20,24H,2-4,7-8,12-15,17H2,1H3,(H,29,33)(H,30,32)
InChIKeyIPVBNVXZAFYSHT-UHFFFAOYSA-N
XLogP4.38
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The IUPAC name of N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide (CID 11465130) is N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide is Cc1cccc(C(=O)NC(CC2CCCCC2)C(=O)NCCN2CCc3cc(F)ccc32)c1.
What is the InChIKey of N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
The InChIKey is IPVBNVXZAFYSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN3O2/c1-19-6-5-9-22(16-19)26(32)30-24(17-20-7-3-2-4-8-20)27(33)29-13-15-31-14-12-21-18-23(28)10-11-25(21)31/h5-6,9-11,16,18,20,24H,2-4,7-8,12-15,17H2,1H3,(H,29,33)(H,30,32).
What are the key properties of N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide?
N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide has a molecular weight of 451.59 g/mol, XLogP of 4.38, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyclohexyl-1-[2-(5-fluoro-2,3-dihydroindol-1-yl)ethylamino]-1-oxopropan-2-yl]-3-methylbenzamide is sourced from PubChem (CID 11465130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).