N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C20H20F3NO3 — CID 52626231

IUPACN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)Cc2ccc(OC(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C20H20F3NO3/c1-26-16-10-6-15(7-11-16)19(14-4-5-14)24-18(25)12-13-2-8-17(9-3-13)27-20(21,22)23/h2-3,6-11,14,19H,4-5,12H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyVIBOYUCGZDNGPB-LJQANCHMSA-N
MW379.38 g/mol
LogP4.40
Rot. Bonds7

About N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 52626231) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID52626231
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC NameN-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc([C@H](NC(=O)Cc2ccc(OC(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C20H20F3NO3/c1-26-16-10-6-15(7-11-16)19(14-4-5-14)24-18(25)12-13-2-8-17(9-3-13)27-20(21,22)23/h2-3,6-11,14,19H,4-5,12H2,1H3,(H,24,25)/t19-/m1/s1
InChIKeyVIBOYUCGZDNGPB-LJQANCHMSA-N
XLogP4.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 112804442
N-[cyclopentyl(phenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 2964253
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 86990447
2,2,2-trifluoroethyl N-[cyclopropyl-(4-methoxyphenyl)methyl]carbamate
CID 60705741
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetamide
CID 55572143
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-methylpropanamide
CID 60701189
3-amino-N-[cyclopropyl-(4-methoxyphenyl)methyl]butanamide
CID 61252828
N-[cyclopropyl-(4-methoxyphenyl)methyl]acetamide
CID 60701170
N-[cyclopropyl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 46539903
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-methoxybenzamide
CID 55461380
4-tert-butyl-N-[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 46580126

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 52626231) is N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is COc1ccc([C@H](NC(=O)Cc2ccc(OC(F)(F)F)cc2)C2CC2)cc1.
What is the InChIKey of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is VIBOYUCGZDNGPB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20F3NO3/c1-26-16-10-6-15(7-11-16)19(14-4-5-14)24-18(25)12-13-2-8-17(9-3-13)27-20(21,22)23/h2-3,6-11,14,19H,4-5,12H2,1H3,(H,24,25)/t19-/m1/s1.
What are the key properties of N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 379.38 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 52626231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).