N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide

C26H25F2NO4 — CID 16606789

IUPACN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(CN(C(=O)c2ccc(OCc3ccccc3)cc2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C26H25F2NO4/c1-31-24-15-19(7-14-23(24)33-26(27)28)16-29(21-10-11-21)25(30)20-8-12-22(13-9-20)32-17-18-5-3-2-4-6-18/h2-9,12-15,21,26H,10-11,16-17H2,1H3
InChIKeyZBZILUQBCIFZLA-UHFFFAOYSA-N
MW453.49 g/mol
LogP5.68
Rot. Bonds10

About N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide (PubChem CID 16606789) has the molecular formula C26H25F2NO4 and a molecular weight of 453.49 g/mol. Its IUPAC name is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
PubChem CID16606789
Molecular FormulaC26H25F2NO4
Molecular Weight453.49 g/mol
Exact Mass453.18
IUPAC NameN-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide
SMILESCOc1cc(CN(C(=O)c2ccc(OCc3ccccc3)cc2)C2CC2)ccc1OC(F)F
InChIInChI=1S/C26H25F2NO4/c1-31-24-15-19(7-14-23(24)33-26(27)28)16-29(21-10-11-21)25(30)20-8-12-22(13-9-20)32-17-18-5-3-2-4-6-18/h2-9,12-15,21,26H,10-11,16-17H2,1H3
InChIKeyZBZILUQBCIFZLA-UHFFFAOYSA-N
XLogP5.68
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.49
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methoxy-4-methylbenzamide
CID 18169209
4-(benzimidazol-1-yl)-N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]benzamide
CID 24504404
N-cyclopropyl-4-(difluoromethoxy)-3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 33349377
4-(2-amino-2-oxoethoxy)-N-benzyl-N-cyclopropyl-3-methoxybenzamide
CID 38252727
N-[(3-bromophenyl)methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 55583180
N-[2-[benzyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 167793048
N-[2-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 18169203
methyl 5-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18151203
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-3-methoxy-4-(2-methylpropoxy)benzamide
CID 112816253
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17480212
methyl 4-[cyclopropyl-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]sulfamoyl]benzoate
CID 26540361
N-cyclopentyl-N-ethyl-4-(phenoxymethyl)benzamide
CID 55587210

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide?
The IUPAC name of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide (CID 16606789) is N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide?
The canonical SMILES for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide is COc1cc(CN(C(=O)c2ccc(OCc3ccccc3)cc2)C2CC2)ccc1OC(F)F.
What is the InChIKey of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide?
The InChIKey is ZBZILUQBCIFZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2NO4/c1-31-24-15-19(7-14-23(24)33-26(27)28)16-29(21-10-11-21)25(30)20-8-12-22(13-9-20)32-17-18-5-3-2-4-6-18/h2-9,12-15,21,26H,10-11,16-17H2,1H3.
What are the key properties of N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide?
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide has a molecular weight of 453.49 g/mol, XLogP of 5.68, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-phenylmethoxybenzamide is sourced from PubChem (CID 16606789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).