N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C21H22F3NO2 — CID 91631323

IUPACN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOC1(CNC(=O)CCc2ccc(C(F)(F)F)cc2)Cc2ccccc2C1
InChIInChI=1S/C21H22F3NO2/c1-27-20(12-16-4-2-3-5-17(16)13-20)14-25-19(26)11-8-15-6-9-18(10-7-15)21(22,23)24/h2-7,9-10H,8,11-14H2,1H3,(H,25,26)
InChIKeyFRPIROIOPJBREV-UHFFFAOYSA-N
MW377.41 g/mol
LogP3.94
Rot. Bonds6

About N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 91631323) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID91631323
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC NameN-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCOC1(CNC(=O)CCc2ccc(C(F)(F)F)cc2)Cc2ccccc2C1
InChIInChI=1S/C21H22F3NO2/c1-27-20(12-16-4-2-3-5-17(16)13-20)14-25-19(26)11-8-15-6-9-18(10-7-15)21(22,23)24/h2-7,9-10H,8,11-14H2,1H3,(H,25,26)
InChIKeyFRPIROIOPJBREV-UHFFFAOYSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-N-[(2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl]propanamide
CID 91631320
N-[(R)-2-methoxy-2-(o-tolyl)ethyl]3-[p-(trifluoromethyl)phenyl]propionamide
CID 97417766
N-[(R)-2-(o-fluorophenyl)-2-methoxypropyl]3-[p-(trifluoromethyl)phenyl]propionamide
CID 97428426
N-[(R)-2-methoxy-2-phenylbutyl]3-[p-(trifluoromethyl)phenyl]propionamide
CID 97428624
N-{[(S)-1-hydroxy-1-indanyl]methyl}3-[p-(trifluoromethyl)phenyl]propionamide
CID 99708862
2-{[1,1'-biphenyl]-4-yl}-N-[(2-hydroxy-2,3-dihydro-1H-inden-2-yl)methyl]acetamide
CID 91631187
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)pivalamide
CID 91631261
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)-2-methylbenzamide
CID 91631268
2-(2-chlorophenyl)-N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)acetamide
CID 91631288
N-((2-methoxy-2,3-dihydro-1H-inden-2-yl)methyl)cyclohex-3-enecarboxamide
CID 91631310
methyl (2S)-6-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 59616406
9H-fluoren-9-ylmethyl 7,7,7-trifluoro-6-oxoheptylcarbamate
CID 70067884

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 91631323) is N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is COC1(CNC(=O)CCc2ccc(C(F)(F)F)cc2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is FRPIROIOPJBREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO2/c1-27-20(12-16-4-2-3-5-17(16)13-20)14-25-19(26)11-8-15-6-9-18(10-7-15)21(22,23)24/h2-7,9-10H,8,11-14H2,1H3,(H,25,26).
What are the key properties of N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 377.41 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-1,3-dihydroinden-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 91631323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).