4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide

C22H25F2N3O4 — CID 56581973

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2ccccc2N2CCCC2)ccc1OC(F)F
InChIInChI=1S/C22H25F2N3O4/c1-30-19-12-15(8-9-18(19)31-22(23)24)21(29)26-14-20(28)25-13-16-6-2-3-7-17(16)27-10-4-5-11-27/h2-3,6-9,12,22H,4-5,10-11,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyXCVJTSRNUNCOAI-UHFFFAOYSA-N
MW433.46 g/mol
LogP2.94
Rot. Bonds9

About 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide (PubChem CID 56581973) has the molecular formula C22H25F2N3O4 and a molecular weight of 433.46 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide
PubChem CID56581973
Molecular FormulaC22H25F2N3O4
Molecular Weight433.46 g/mol
Exact Mass433.18
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)NCc2ccccc2N2CCCC2)ccc1OC(F)F
InChIInChI=1S/C22H25F2N3O4/c1-30-19-12-15(8-9-18(19)31-22(23)24)21(29)26-14-20(28)25-13-16-6-2-3-7-17(16)27-10-4-5-11-27/h2-3,6-9,12,22H,4-5,10-11,13-14H2,1H3,(H,25,28)(H,26,29)
InChIKeyXCVJTSRNUNCOAI-UHFFFAOYSA-N
XLogP2.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486
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CID 31553535
4-(difluoromethoxy)-3-methoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 52554684
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842372
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]benzamide
CID 36598328
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
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4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
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4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
4-(difluoromethoxy)-3-methoxy-N-[2-[4-(2-methylpropanoyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 55349529
3-methoxy-4-[2-(methylamino)-2-oxoethoxy]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide (CID 56581973) is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide is COc1cc(C(=O)NCC(=O)NCc2ccccc2N2CCCC2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide?
The InChIKey is XCVJTSRNUNCOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4/c1-30-19-12-15(8-9-18(19)31-22(23)24)21(29)26-14-20(28)25-13-16-6-2-3-7-17(16)27-10-4-5-11-27/h2-3,6-9,12,22H,4-5,10-11,13-14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide has a molecular weight of 433.46 g/mol, XLogP of 2.94, 9 rotatable bonds, 2 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-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide is sourced from PubChem (CID 56581973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).