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

C20H21F3N2O3 — CID 112804442

IUPAC2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-27-16-8-4-14(5-9-16)19(13-2-3-13)24-12-18(26)25-15-6-10-17(11-7-15)28-20(21,22)23/h4-11,13,19,24H,2-3,12H2,1H3,(H,25,26)
InChIKeyXDPBCHBFWQMAIR-UHFFFAOYSA-N
MW394.39 g/mol
LogP4.27
Rot. Bonds8

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

2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 112804442) has the molecular formula C20H21F3N2O3 and a molecular weight of 394.39 g/mol. Its IUPAC name is 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID112804442
Molecular FormulaC20H21F3N2O3
Molecular Weight394.39 g/mol
Exact Mass394.15
IUPAC Name2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCOc1ccc(C(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C20H21F3N2O3/c1-27-16-8-4-14(5-9-16)19(13-2-3-13)24-12-18(26)25-15-6-10-17(11-7-15)28-20(21,22)23/h4-11,13,19,24H,2-3,12H2,1H3,(H,25,26)
InChIKeyXDPBCHBFWQMAIR-UHFFFAOYSA-N
XLogP4.27
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.39
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-cyclopropyl-(4-methoxyphenyl)methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 52626231
N-[2-chloro-6-(trifluoromethyl)phenyl]-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804532
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
N-(2-bromo-4-methylphenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112804460
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
N-(4-bromo-2-chlorophenyl)-2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetamide
CID 112805317
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]acetamide
CID 112840964
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
2-[[2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 112808084
N-[cyclohexyl-[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 114981675
4-[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoic acid
CID 22501760

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 112804442) is 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is COc1ccc(C(NCC(=O)Nc2ccc(OC(F)(F)F)cc2)C2CC2)cc1.
What is the InChIKey of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is XDPBCHBFWQMAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3/c1-27-16-8-4-14(5-9-16)19(13-2-3-13)24-12-18(26)25-15-6-10-17(11-7-15)28-20(21,22)23/h4-11,13,19,24H,2-3,12H2,1H3,(H,25,26).
What are the key properties of 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 394.39 g/mol, XLogP of 4.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-(4-methoxyphenyl)methyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 112804442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).