N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

C28H32FN3O4 — CID 5172086

IUPACN-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1
InChIInChI=1S/C28H32FN3O4/c1-22-4-8-24(9-5-22)28(34)31(13-12-30-14-17-35-18-15-30)21-27(33)32(20-26-3-2-16-36-26)19-23-6-10-25(29)11-7-23/h2-11,16H,12-15,17-21H2,1H3
InChIKeyUYRJLMQYXDENRS-UHFFFAOYSA-N
MW493.58 g/mol
LogP3.73
Rot. Bonds10

About N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide

N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (PubChem CID 5172086) has the molecular formula C28H32FN3O4 and a molecular weight of 493.58 g/mol. Its IUPAC name is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
PubChem CID5172086
Molecular FormulaC28H32FN3O4
Molecular Weight493.58 g/mol
Exact Mass493.24
IUPAC NameN-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide
SMILESCc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1
InChIInChI=1S/C28H32FN3O4/c1-22-4-8-24(9-5-22)28(34)31(13-12-30-14-17-35-18-15-30)21-27(33)32(20-26-3-2-16-36-26)19-23-6-10-25(29)11-7-23/h2-11,16H,12-15,17-21H2,1H3
InChIKeyUYRJLMQYXDENRS-UHFFFAOYSA-N
XLogP3.73
TPSA66.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.58
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 4102871
2-[dimethylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5244604
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-2,2-dimethyl-N-(2-morpholin-4-ylethyl)propanamide
CID 4249188
2-[butylcarbamoyl(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 5099363
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)naphthalene-1-carboxamide
CID 42773435
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(3-morpholin-4-ylpropyl)butanamide
CID 3541849
N-[2-[(4-fluorophenyl)methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-(trifluoromethyl)benzamide
CID 4056444
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-1,3-benzodioxole-5-carboxamide
CID 4199822
2-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 4106421
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)-4-phenylbenzamide
CID 3251656
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-fluoro-N-(3-morpholin-4-ylpropyl)benzamide
CID 4544339
3-fluoro-N-[2-[furan-2-ylmethyl(2-phenylethyl)amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 3371918

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The IUPAC name of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide (CID 5172086) is N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide.
What is the SMILES notation for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The canonical SMILES for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is Cc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1.
What is the InChIKey of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
The InChIKey is UYRJLMQYXDENRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O4/c1-22-4-8-24(9-5-22)28(34)31(13-12-30-14-17-35-18-15-30)21-27(33)32(20-26-3-2-16-36-26)19-23-6-10-25(29)11-7-23/h2-11,16H,12-15,17-21H2,1H3.
What are the key properties of N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide?
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide has a molecular weight of 493.58 g/mol, XLogP of 3.73, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-4-methyl-N-(2-morpholin-4-ylethyl)benzamide is sourced from PubChem (CID 5172086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).