4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide

C22H27F2N3O4 — CID 55952260

IUPAC4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(Cc2ccccc2)CN(C)C)ccc1OC(F)F
InChIInChI=1S/C22H27F2N3O4/c1-27(2)14-17(11-15-7-5-4-6-8-15)26-20(28)13-25-21(29)16-9-10-18(31-22(23)24)19(12-16)30-3/h4-10,12,17,22H,11,13-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyJXJNJDXXWNRKHX-UHFFFAOYSA-N
MW435.47 g/mol
LogP2.32
Rot. Bonds11

About 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide

4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 55952260) has the molecular formula C22H27F2N3O4 and a molecular weight of 435.47 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID55952260
Molecular FormulaC22H27F2N3O4
Molecular Weight435.47 g/mol
Exact Mass435.20
IUPAC Name4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(=O)NC(Cc2ccccc2)CN(C)C)ccc1OC(F)F
InChIInChI=1S/C22H27F2N3O4/c1-27(2)14-17(11-15-7-5-4-6-8-15)26-20(28)13-25-21(29)16-9-10-18(31-22(23)24)19(12-16)30-3/h4-10,12,17,22H,11,13-14H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyJXJNJDXXWNRKHX-UHFFFAOYSA-N
XLogP2.32
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide with MolForge

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
4-(difluoromethoxy)-N-[2-[1-(2,6-difluorophenyl)propan-2-ylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55923560
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580651
N-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217161
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9412072
N-(2-benzylsulfanylethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 8749675
phenacyl 2-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetate
CID 7580682

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide (CID 55952260) is 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)NC(Cc2ccccc2)CN(C)C)ccc1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is JXJNJDXXWNRKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27F2N3O4/c1-27(2)14-17(11-15-7-5-4-6-8-15)26-20(28)13-25-21(29)16-9-10-18(31-22(23)24)19(12-16)30-3/h4-10,12,17,22H,11,13-14H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide?
4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 435.47 g/mol, XLogP of 2.32, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[2-[[1-(dimethylamino)-3-phenylpropan-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 55952260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).