3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide

C17H16Cl2N2O3 — CID 87033246

IUPAC3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C17H16Cl2N2O3/c18-11-4-5-14-13(9-11)15(19)16(21-14)17(22)20-6-2-7-23-10-12-3-1-8-24-12/h1,3-5,8-9,21H,2,6-7,10H2,(H,20,22)
InChIKeyUIQYYHAOCKZWGV-UHFFFAOYSA-N
MW367.23 g/mol
LogP4.40
Rot. Bonds7

About 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide

3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide (PubChem CID 87033246) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide
PubChem CID87033246
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide
SMILESO=C(NCCCOCc1ccco1)c1[nH]c2ccc(Cl)cc2c1Cl
InChIInChI=1S/C17H16Cl2N2O3/c18-11-4-5-14-13(9-11)15(19)16(21-14)17(22)20-6-2-7-23-10-12-3-1-8-24-12/h1,3-5,8-9,21H,2,6-7,10H2,(H,20,22)
InChIKeyUIQYYHAOCKZWGV-UHFFFAOYSA-N
XLogP4.40
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[3-(furan-2-ylmethoxy)propyl]pyridine-4-carboxamide
CID 60706210
4-fluoro-N-[3-(furan-2-ylmethoxy)propyl]-3-methylbenzamide
CID 63213455
4-(4-chlorophenyl)-N-[3-(furan-2-ylmethoxy)propyl]butanamide
CID 87002587
3-amino-N-[3-(furan-2-ylmethoxy)propyl]benzamide
CID 61275519
3-chloro-N-[3-(furan-2-ylmethoxy)propyl]propanamide
CID 61251673
3,5-dichloro-N-[2-(methanesulfonamido)ethyl]-1H-indole-2-carboxamide
CID 166187794
N-[3-(furan-2-ylmethoxy)propyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 47049339
N-[3-(furan-2-ylmethoxy)propyl]-4-methylsulfanylbenzamide
CID 78832996
3,5-dichloro-N-(2-methoxy-2-phenylethyl)-1H-indole-2-carboxamide
CID 60543987
N-[3-(furan-2-ylmethoxy)propyl]-2-(methanesulfonamido)benzamide
CID 51296855
3-amino-N-[3-(furan-2-ylmethoxy)propyl]-1H-1,2,4-triazole-5-carboxamide
CID 55115340
3,5-dichloro-N-(2-hydroxypropyl)-1H-indole-2-carboxamide
CID 110900787

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide (CID 87033246) is 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide is O=C(NCCCOCc1ccco1)c1[nH]c2ccc(Cl)cc2c1Cl.
What is the InChIKey of 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide?
The InChIKey is UIQYYHAOCKZWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c18-11-4-5-14-13(9-11)15(19)16(21-14)17(22)20-6-2-7-23-10-12-3-1-8-24-12/h1,3-5,8-9,21H,2,6-7,10H2,(H,20,22).
What are the key properties of 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide?
3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide has a molecular weight of 367.23 g/mol, XLogP of 4.40, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[3-(furan-2-ylmethoxy)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 87033246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).