4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide

C23H27F2N3O4 — CID 38842372

IUPAC4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(CN3CCCCC3)c2)ccc1OC(F)F
InChIInChI=1S/C23H27F2N3O4/c1-31-20-13-17(8-9-19(20)32-23(24)25)22(30)26-14-21(29)27-18-7-5-6-16(12-18)15-28-10-3-2-4-11-28/h5-9,12-13,23H,2-4,10-11,14-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyLZURDFAFNDCHQW-UHFFFAOYSA-N
MW447.48 g/mol
LogP3.65
Rot. Bonds9

About 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide (PubChem CID 38842372) has the molecular formula C23H27F2N3O4 and a molecular weight of 447.48 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
PubChem CID38842372
Molecular FormulaC23H27F2N3O4
Molecular Weight447.48 g/mol
Exact Mass447.20
IUPAC Name4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)Nc2cccc(CN3CCCCC3)c2)ccc1OC(F)F
InChIInChI=1S/C23H27F2N3O4/c1-31-20-13-17(8-9-19(20)32-23(24)25)22(30)26-14-21(29)27-18-7-5-6-16(12-18)15-28-10-3-2-4-11-28/h5-9,12-13,23H,2-4,10-11,14-15H2,1H3,(H,26,30)(H,27,29)
InChIKeyLZURDFAFNDCHQW-UHFFFAOYSA-N
XLogP3.65
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.48
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 38842437
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
N-[2-(3-ethylanilino)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 27256468
methyl 2-[[3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]benzoyl]amino]acetate
CID 55727946
N-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26499038
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide
CID 56581973
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-2-oxoethyl]-3-methoxybenzamide
CID 42487439
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 55633946
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
3,4-dimethoxy-N-[2-oxo-2-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 41438486

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide (CID 38842372) is 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide is COc1cc(C(=O)NCC(=O)Nc2cccc(CN3CCCCC3)c2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
The InChIKey is LZURDFAFNDCHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F2N3O4/c1-31-20-13-17(8-9-19(20)32-23(24)25)22(30)26-14-21(29)27-18-7-5-6-16(12-18)15-28-10-3-2-4-11-28/h5-9,12-13,23H,2-4,10-11,14-15H2,1H3,(H,26,30)(H,27,29).
What are the key properties of 4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide?
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide has a molecular weight of 447.48 g/mol, XLogP of 3.65, 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-[3-(piperidin-1-ylmethyl)anilino]ethyl]benzamide is sourced from PubChem (CID 38842372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).