5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide

C25H30ClN3O2 — CID 142580427

IUPAC5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
SMILESCCN(C(=O)N1CCc2cc(C3(C(=O)Nc4ccc(Cl)cc4)CCC3)ccc21)C(C)C
InChIInChI=1S/C25H30ClN3O2/c1-4-28(17(2)3)24(31)29-15-12-18-16-19(6-11-22(18)29)25(13-5-14-25)23(30)27-21-9-7-20(26)8-10-21/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,30)
InChIKeyUBAGZTQBEADXSC-UHFFFAOYSA-N
MW439.99 g/mol
LogP5.61
Rot. Bonds5

About 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide

5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide (PubChem CID 142580427) has the molecular formula C25H30ClN3O2 and a molecular weight of 439.99 g/mol. Its IUPAC name is 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
PubChem CID142580427
Molecular FormulaC25H30ClN3O2
Molecular Weight439.99 g/mol
Exact Mass439.20
IUPAC Name5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide
SMILESCCN(C(=O)N1CCc2cc(C3(C(=O)Nc4ccc(Cl)cc4)CCC3)ccc21)C(C)C
InChIInChI=1S/C25H30ClN3O2/c1-4-28(17(2)3)24(31)29-15-12-18-16-19(6-11-22(18)29)25(13-5-14-25)23(30)27-21-9-7-20(26)8-10-21/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,30)
InChIKeyUBAGZTQBEADXSC-UHFFFAOYSA-N
XLogP5.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.99
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide (CID 142580427) is 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide is CCN(C(=O)N1CCc2cc(C3(C(=O)Nc4ccc(Cl)cc4)CCC3)ccc21)C(C)C.
What is the InChIKey of 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
The InChIKey is UBAGZTQBEADXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O2/c1-4-28(17(2)3)24(31)29-15-12-18-16-19(6-11-22(18)29)25(13-5-14-25)23(30)27-21-9-7-20(26)8-10-21/h6-11,16-17H,4-5,12-15H2,1-3H3,(H,27,30).
What are the key properties of 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide?
5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide has a molecular weight of 439.99 g/mol, XLogP of 5.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-chlorophenyl)carbamoyl]cyclobutyl]-N-ethyl-N-propan-2-yl-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 142580427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).