N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

C18H16ClF2NO3 — CID 7942948

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H16ClF2NO3/c19-15-9-13(5-7-16(15)25-18(20)21)22-17(23)10-24-14-6-4-11-2-1-3-12(11)8-14/h4-9,18H,1-3,10H2,(H,22,23)
InChIKeyPFRYRJPIOHWRRT-UHFFFAOYSA-N
MW367.78 g/mol
LogP4.45
Rot. Bonds6

About N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (PubChem CID 7942948) has the molecular formula C18H16ClF2NO3 and a molecular weight of 367.78 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
PubChem CID7942948
Molecular FormulaC18H16ClF2NO3
Molecular Weight367.78 g/mol
Exact Mass367.08
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
SMILESO=C(COc1ccc2c(c1)CCC2)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C18H16ClF2NO3/c19-15-9-13(5-7-16(15)25-18(20)21)22-17(23)10-24-14-6-4-11-2-1-3-12(11)8-14/h4-9,18H,1-3,10H2,(H,22,23)
InChIKeyPFRYRJPIOHWRRT-UHFFFAOYSA-N
XLogP4.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.78
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide (CID 7942948) is N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is O=C(COc1ccc2c(c1)CCC2)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
The InChIKey is PFRYRJPIOHWRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2NO3/c19-15-9-13(5-7-16(15)25-18(20)21)22-17(23)10-24-14-6-4-11-2-1-3-12(11)8-14/h4-9,18H,1-3,10H2,(H,22,23).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide has a molecular weight of 367.78 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide is sourced from PubChem (CID 7942948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).