4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide

C18H25F2N3O4 — CID 55588222

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(C(C)C)CC2)ccc1OC(F)F
InChIInChI=1S/C18H25F2N3O4/c1-12(2)22-6-8-23(9-7-22)16(24)11-21-17(25)13-4-5-14(27-18(19)20)15(10-13)26-3/h4-5,10,12,18H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyXQGDHQWJYIQQEV-UHFFFAOYSA-N
MW385.41 g/mol
LogP1.58
Rot. Bonds7

About 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide (PubChem CID 55588222) has the molecular formula C18H25F2N3O4 and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide
PubChem CID55588222
Molecular FormulaC18H25F2N3O4
Molecular Weight385.41 g/mol
Exact Mass385.18
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)N2CCN(C(C)C)CC2)ccc1OC(F)F
InChIInChI=1S/C18H25F2N3O4/c1-12(2)22-6-8-23(9-7-22)16(24)11-21-17(25)13-4-5-14(27-18(19)20)15(10-13)26-3/h4-5,10,12,18H,6-9,11H2,1-3H3,(H,21,25)
InChIKeyXQGDHQWJYIQQEV-UHFFFAOYSA-N
XLogP1.58
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55349529
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-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
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
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-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide (CID 55588222) is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide is COc1cc(C(=O)NCC(=O)N2CCN(C(C)C)CC2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is XQGDHQWJYIQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O4/c1-12(2)22-6-8-23(9-7-22)16(24)11-21-17(25)13-4-5-14(27-18(19)20)15(10-13)26-3/h4-5,10,12,18H,6-9,11H2,1-3H3,(H,21,25).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 385.41 g/mol, XLogP of 1.58, 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-oxo-2-(4-propan-2-ylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 55588222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).