4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide

C19H25F2N3O5 — CID 55349529

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(C(=O)C(C)C)CC2)ccc1OC(F)F
InChIInChI=1S/C19H25F2N3O5/c1-12(2)18(27)24-8-6-23(7-9-24)16(25)11-22-17(26)13-4-5-14(29-19(20)21)15(10-13)28-3/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,22,26)
InChIKeyXCMXACPQRVEPPI-UHFFFAOYSA-N
MW413.42 g/mol
LogP1.35
Rot. Bonds7

About 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide (PubChem CID 55349529) has the molecular formula C19H25F2N3O5 and a molecular weight of 413.42 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
PubChem CID55349529
Molecular FormulaC19H25F2N3O5
Molecular Weight413.42 g/mol
Exact Mass413.18
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(C(=O)C(C)C)CC2)ccc1OC(F)F
InChIInChI=1S/C19H25F2N3O5/c1-12(2)18(27)24-8-6-23(7-9-24)16(25)11-22-17(26)13-4-5-14(29-19(20)21)15(10-13)28-3/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,22,26)
InChIKeyXCMXACPQRVEPPI-UHFFFAOYSA-N
XLogP1.35
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide with MolForge

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55588222
N-[2-(2-cyclobutylpyrrolidin-1-yl)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 154745313
4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55694085
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55551154
3-(difluoromethoxy)-4-methoxy-N-(3-oxo-3-piperidin-1-ylpropyl)benzamide
CID 55803051
4-(difluoromethoxy)-3-methoxy-N-propylbenzamide
CID 78768368
N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55347503
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-3-methoxy-N-prop-2-ynylbenzamide
CID 18109915
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide (CID 55349529) is 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)N2CCN(C(=O)C(C)C)CC2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is XCMXACPQRVEPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N3O5/c1-12(2)18(27)24-8-6-23(7-9-24)16(25)11-22-17(26)13-4-5-14(29-19(20)21)15(10-13)28-3/h4-5,10,12,19H,6-9,11H2,1-3H3,(H,22,26).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 413.42 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 55349529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).