4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide

C19H24Cl2N2O — CID 58011331

IUPAC4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCCCC2)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C19H24Cl2N2O/c1-2-23-12-15(18-16(21)9-14(20)10-17(18)23)19(24)22-11-13-7-5-3-4-6-8-13/h9-10,12-13H,2-8,11H2,1H3,(H,22,24)
InChIKeyXWOUFHCXNOFGKE-UHFFFAOYSA-N
MW367.32 g/mol
LogP5.67
Rot. Bonds4

About 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide

4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide (PubChem CID 58011331) has the molecular formula C19H24Cl2N2O and a molecular weight of 367.32 g/mol. Its IUPAC name is 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide.

Molecular Properties

Compound Name4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
PubChem CID58011331
Molecular FormulaC19H24Cl2N2O
Molecular Weight367.32 g/mol
Exact Mass366.13
IUPAC Name4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide
SMILESCCn1cc(C(=O)NCC2CCCCCC2)c2c(Cl)cc(Cl)cc21
InChIInChI=1S/C19H24Cl2N2O/c1-2-23-12-15(18-16(21)9-14(20)10-17(18)23)19(24)22-11-13-7-5-3-4-6-8-13/h9-10,12-13H,2-8,11H2,1H3,(H,22,24)
InChIKeyXWOUFHCXNOFGKE-UHFFFAOYSA-N
XLogP5.67
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.32
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide?
The IUPAC name of 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide (CID 58011331) is 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide.
What is the SMILES notation for 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide?
The canonical SMILES for 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide is CCn1cc(C(=O)NCC2CCCCCC2)c2c(Cl)cc(Cl)cc21.
What is the InChIKey of 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide?
The InChIKey is XWOUFHCXNOFGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N2O/c1-2-23-12-15(18-16(21)9-14(20)10-17(18)23)19(24)22-11-13-7-5-3-4-6-8-13/h9-10,12-13H,2-8,11H2,1H3,(H,22,24).
What are the key properties of 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide?
4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide has a molecular weight of 367.32 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(cycloheptylmethyl)-1-ethylindole-3-carboxamide is sourced from PubChem (CID 58011331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).