N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide

C22H22ClN3O4 — CID 55565805

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide
SMILESCOCC(=O)Nc1cccc(NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C22H22ClN3O4/c1-29-14-22(28)26-18-4-2-3-17(11-18)24-13-21(27)25-12-19-9-10-20(30-19)15-5-7-16(23)8-6-15/h2-11,24H,12-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyINQOMVUNGOLLQI-UHFFFAOYSA-N
MW427.89 g/mol
LogP3.91
Rot. Bonds9

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide (PubChem CID 55565805) has the molecular formula C22H22ClN3O4 and a molecular weight of 427.89 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide
PubChem CID55565805
Molecular FormulaC22H22ClN3O4
Molecular Weight427.89 g/mol
Exact Mass427.13
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide
SMILESCOCC(=O)Nc1cccc(NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C22H22ClN3O4/c1-29-14-22(28)26-18-4-2-3-17(11-18)24-13-21(27)25-12-19-9-10-20(30-19)15-5-7-16(23)8-6-15/h2-11,24H,12-14H2,1H3,(H,25,27)(H,26,28)
InChIKeyINQOMVUNGOLLQI-UHFFFAOYSA-N
XLogP3.91
TPSA92.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-methoxyacetamide
CID 47140638
N-[2-[[5-(4-chlorophenyl)furan-2-yl]methylamino]-2-oxoethyl]-2-phenylacetamide
CID 9120196
N-[3-[3-(4-chlorophenyl)prop-2-ynylamino]phenyl]-2-methoxyacetamide
CID 84586430
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(methoxymethyl)benzamide
CID 46674267
2-(4-chloro-3,5-dimethylphenoxy)-N-[[5-(4-chlorophenyl)furan-2-yl]methyl]acetamide
CID 54859110
2-(4-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-methylpropanamide
CID 51121142
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 18284866
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 17335241
N-[3-[[5-(4-chlorophenyl)furan-2-yl]methylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 46410027
3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
N-[3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833230
N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 66387466

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide (CID 55565805) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide is COCC(=O)Nc1cccc(NCC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide?
The InChIKey is INQOMVUNGOLLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O4/c1-29-14-22(28)26-18-4-2-3-17(11-18)24-13-21(27)25-12-19-9-10-20(30-19)15-5-7-16(23)8-6-15/h2-11,24H,12-14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide has a molecular weight of 427.89 g/mol, XLogP of 3.91, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-[3-[(2-methoxyacetyl)amino]anilino]acetamide is sourced from PubChem (CID 55565805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).