2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide

C21H18ClN3O2 — CID 5309691

IUPAC2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)n1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H18ClN3O2/c1-14(21(26)23-13-17-8-5-11-27-17)25-19-10-9-16(22)12-18(19)20(24-25)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,23,26)
InChIKeyBKBXGNIGQXFWSY-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.83
Rot. Bonds5

About 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide

2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide (PubChem CID 5309691) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide
PubChem CID5309691
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide
SMILESCC(C(=O)NCc1ccco1)n1nc(-c2ccccc2)c2cc(Cl)ccc21
InChIInChI=1S/C21H18ClN3O2/c1-14(21(26)23-13-17-8-5-11-27-17)25-19-10-9-16(22)12-18(19)20(24-25)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,23,26)
InChIKeyBKBXGNIGQXFWSY-UHFFFAOYSA-N
XLogP4.83
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide (CID 5309691) is 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide is CC(C(=O)NCc1ccco1)n1nc(-c2ccccc2)c2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is BKBXGNIGQXFWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-14(21(26)23-13-17-8-5-11-27-17)25-19-10-9-16(22)12-18(19)20(24-25)15-6-3-2-4-7-15/h2-12,14H,13H2,1H3,(H,23,26).
What are the key properties of 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide?
2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 379.85 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3-phenylindazol-1-yl)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 5309691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).