2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide

C20H21F2NO2 — CID 86956057

IUPAC2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide
SMILESCC1CC1C(NC(=O)Cc1cccc(OC(F)F)c1)c1ccccc1
InChIInChI=1S/C20H21F2NO2/c1-13-10-17(13)19(15-7-3-2-4-8-15)23-18(24)12-14-6-5-9-16(11-14)25-20(21)22/h2-9,11,13,17,19-20H,10,12H2,1H3,(H,23,24)
InChIKeyKPERVRSVAOBMIJ-UHFFFAOYSA-N
MW345.39 g/mol
LogP4.34
Rot. Bonds7

About 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide

2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide (PubChem CID 86956057) has the molecular formula C20H21F2NO2 and a molecular weight of 345.39 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide
PubChem CID86956057
Molecular FormulaC20H21F2NO2
Molecular Weight345.39 g/mol
Exact Mass345.15
IUPAC Name2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide
SMILESCC1CC1C(NC(=O)Cc1cccc(OC(F)F)c1)c1ccccc1
InChIInChI=1S/C20H21F2NO2/c1-13-10-17(13)19(15-7-3-2-4-8-15)23-18(24)12-14-6-5-9-16(11-14)25-20(21)22/h2-9,11,13,17,19-20H,10,12H2,1H3,(H,23,24)
InChIKeyKPERVRSVAOBMIJ-UHFFFAOYSA-N
XLogP4.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(difluoromethoxy)phenyl]ethyl]-2-(3-fluorophenyl)acetamide
CID 42961600
3-(3-fluoro-4-methoxyphenyl)-N-[(2-methylcyclopropyl)-phenylmethyl]propanamide
CID 86956297
2-[3-(difluoromethoxy)phenyl]-N-(2-hydroxy-2-phenylpropyl)acetamide
CID 111334767
5-chloro-N-[(2-methylcyclopropyl)-phenylmethyl]furan-2-carboxamide
CID 86956112
2-(3-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylmethyl]acetamide
CID 51187291
2-[[2-(3-methoxyphenyl)acetyl]amino]-2-phenylacetamide
CID 51289830
5-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]-2-methylfuran-3-carboxylic acid
CID 71915529
2,4-difluoro-N-[(2-methylcyclopropyl)-phenylmethyl]benzamide
CID 86956168
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-[3-(difluoromethoxy)phenyl]acetamide
CID 56783035
tert-butyl 2-[[[2-[3-(difluoromethoxy)phenyl]acetyl]amino]methyl]piperidine-1-carboxylate
CID 86897558
1-(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-2-[3-(difluoromethoxy)phenyl]ethanone
CID 171949096
N-[(1S)-1-[3-(difluoromethoxy)phenyl]ethyl]-2-pyrimidin-5-ylacetamide
CID 124884144

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide?
The IUPAC name of 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide (CID 86956057) is 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide is CC1CC1C(NC(=O)Cc1cccc(OC(F)F)c1)c1ccccc1.
What is the InChIKey of 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide?
The InChIKey is KPERVRSVAOBMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2NO2/c1-13-10-17(13)19(15-7-3-2-4-8-15)23-18(24)12-14-6-5-9-16(11-14)25-20(21)22/h2-9,11,13,17,19-20H,10,12H2,1H3,(H,23,24).
What are the key properties of 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide?
2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide has a molecular weight of 345.39 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)phenyl]-N-[(2-methylcyclopropyl)-phenylmethyl]acetamide is sourced from PubChem (CID 86956057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).