3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide

C18H18ClNO2 — CID 67146613

IUPAC3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide
SMILESNC(=O)CCc1ccc(OC2CCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H18ClNO2/c19-14-5-8-16-13(11-14)4-9-17(16)22-15-6-1-12(2-7-15)3-10-18(20)21/h1-2,5-8,11,17H,3-4,9-10H2,(H2,20,21)
InChIKeyQCVSEDHPIMGGSP-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.82
Rot. Bonds5

About 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide

3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide (PubChem CID 67146613) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide.

Molecular Properties

Compound Name3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide
PubChem CID67146613
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC Name3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide
SMILESNC(=O)CCc1ccc(OC2CCc3cc(Cl)ccc32)cc1
InChIInChI=1S/C18H18ClNO2/c19-14-5-8-16-13(11-14)4-9-17(16)22-15-6-1-12(2-7-15)3-10-18(20)21/h1-2,5-8,11,17H,3-4,9-10H2,(H2,20,21)
InChIKeyQCVSEDHPIMGGSP-UHFFFAOYSA-N
XLogP3.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide?
The IUPAC name of 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide (CID 67146613) is 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide.
What is the SMILES notation for 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide?
The canonical SMILES for 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide is NC(=O)CCc1ccc(OC2CCc3cc(Cl)ccc32)cc1.
What is the InChIKey of 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide?
The InChIKey is QCVSEDHPIMGGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c19-14-5-8-16-13(11-14)4-9-17(16)22-15-6-1-12(2-7-15)3-10-18(20)21/h1-2,5-8,11,17H,3-4,9-10H2,(H2,20,21).
What are the key properties of 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide?
3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide has a molecular weight of 315.80 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-chloro-2,3-dihydro-1H-inden-1-yl)oxy]phenyl]propanamide is sourced from PubChem (CID 67146613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).