N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide

C24H22Cl2N2O4 — CID 112818770

IUPACN-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H22Cl2N2O4/c25-21-10-9-19(12-22(21)26)32-15-23(29)28(14-20-2-1-11-31-20)13-16-3-5-17(6-4-16)24(30)27-18-7-8-18/h1-6,9-12,18H,7-8,13-15H2,(H,27,30)
InChIKeyAMOAOCNGHJSSDW-UHFFFAOYSA-N
MW473.36 g/mol
LogP5.09
Rot. Bonds9

About N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide

N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide (PubChem CID 112818770) has the molecular formula C24H22Cl2N2O4 and a molecular weight of 473.36 g/mol. Its IUPAC name is N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide
PubChem CID112818770
Molecular FormulaC24H22Cl2N2O4
Molecular Weight473.36 g/mol
Exact Mass472.10
IUPAC NameN-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H22Cl2N2O4/c25-21-10-9-19(12-22(21)26)32-15-23(29)28(14-20-2-1-11-31-20)13-16-3-5-17(6-4-16)24(30)27-18-7-8-18/h1-6,9-12,18H,7-8,13-15H2,(H,27,30)
InChIKeyAMOAOCNGHJSSDW-UHFFFAOYSA-N
XLogP5.09
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.36
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide with MolForge

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Related Compounds

N-cyclopropyl-4-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 112814162
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 78883602
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-(furan-2-ylmethyl)-1-methylpyrazole-4-carboxamide
CID 78847716
N-cyclopropyl-4-[[furan-2-ylmethyl-[3-(3-methyl-2-oxobenzimidazol-1-yl)propanoyl]amino]methyl]benzamide
CID 112814163
4-[[[2-(3-chlorophenoxy)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 34179247
N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679300
4-[[(2-amino-2-oxoethyl)-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 34943139
4-[[[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]-(furan-2-ylmethyl)amino]methyl]-N-cyclopropylbenzamide
CID 55557552
N-benzyl-2-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830858
2-(3,4-dichlorophenyl)-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767070
N-benzyl-2-(4-ethoxyphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 99141396
N-benzyl-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 18830857

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide (CID 112818770) is N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
The InChIKey is AMOAOCNGHJSSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N2O4/c25-21-10-9-19(12-22(21)26)32-15-23(29)28(14-20-2-1-11-31-20)13-16-3-5-17(6-4-16)24(30)27-18-7-8-18/h1-6,9-12,18H,7-8,13-15H2,(H,27,30).
What are the key properties of N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide has a molecular weight of 473.36 g/mol, XLogP of 5.09, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[[2-(3,4-dichlorophenoxy)acetyl]-(furan-2-ylmethyl)amino]methyl]benzamide is sourced from PubChem (CID 112818770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).