4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide

C23H26F3N3O5 — CID 55348277

IUPAC4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C23H26F3N3O5/c1-32-20-12-16(4-7-19(20)34-23(25)26)22(31)28-14-21(30)27-13-18(29-8-10-33-11-9-29)15-2-5-17(24)6-3-15/h2-7,12,18,23H,8-11,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyAJQZNUJJTPMKOY-UHFFFAOYSA-N
MW481.47 g/mol
LogP2.36
Rot. Bonds10

About 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 55348277) has the molecular formula C23H26F3N3O5 and a molecular weight of 481.47 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID55348277
Molecular FormulaC23H26F3N3O5
Molecular Weight481.47 g/mol
Exact Mass481.18
IUPAC Name4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C23H26F3N3O5/c1-32-20-12-16(4-7-19(20)34-23(25)26)22(31)28-14-21(30)27-13-18(29-8-10-33-11-9-29)15-2-5-17(24)6-3-15/h2-7,12,18,23H,8-11,13-14H2,1H3,(H,27,30)(H,28,31)
InChIKeyAJQZNUJJTPMKOY-UHFFFAOYSA-N
XLogP2.36
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide with MolForge

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Related Compounds

N-[2-[[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24646997
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-4-methoxybenzamide
CID 30834690
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 55382953
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(4-fluorophenyl)butanamide
CID 55924740
4-(difluoromethoxy)-N-(3-ethyl-2-morpholin-4-ylpentyl)-3-methoxybenzamide
CID 43046344
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 27811097
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenyl)acetamide
CID 30834692
5-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 4790233
3-methoxy-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 18161673
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methoxyphenoxy)acetamide
CID 30834808
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-methylbenzamide
CID 25484973
2-(4-fluorophenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 30834749

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide (CID 55348277) is 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)NCC(c2ccc(F)cc2)N2CCOCC2)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is AJQZNUJJTPMKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O5/c1-32-20-12-16(4-7-19(20)34-23(25)26)22(31)28-14-21(30)27-13-18(29-8-10-33-11-9-29)15-2-5-17(24)6-3-15/h2-7,12,18,23H,8-11,13-14H2,1H3,(H,27,30)(H,28,31).
What are the key properties of 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 481.47 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 55348277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).