N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide

C18H17FN2O2 — CID 2453286

IUPACN-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H17FN2O2/c19-16-7-2-1-6-15(16)18(23)20-11-17(22)21-14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10H,3-5,11H2,(H,20,23)(H,21,22)
InChIKeyQPNXSKWQESDZRN-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.68
Rot. Bonds4

About N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide

N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide (PubChem CID 2453286) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
PubChem CID2453286
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)Nc1ccc2c(c1)CCC2
InChIInChI=1S/C18H17FN2O2/c19-16-7-2-1-6-15(16)18(23)20-11-17(22)21-14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10H,3-5,11H2,(H,20,23)(H,21,22)
InChIKeyQPNXSKWQESDZRN-UHFFFAOYSA-N
XLogP2.68
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide (CID 2453286) is N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)Nc1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is QPNXSKWQESDZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c19-16-7-2-1-6-15(16)18(23)20-11-17(22)21-14-9-8-12-4-3-5-13(12)10-14/h1-2,6-10H,3-5,11H2,(H,20,23)(H,21,22).
What are the key properties of N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide?
N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 312.34 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 2453286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).