N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

C19H22ClN3O3 — CID 2658290

IUPACN-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-23(12-18(24)21-11-14-3-5-15(20)6-4-14)13-19(25)22-16-7-9-17(26-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVNLBZVRCKJXMRA-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.54
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 2658290) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID2658290
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1ccc(NC(=O)CN(C)CC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H22ClN3O3/c1-23(12-18(24)21-11-14-3-5-15(20)6-4-14)13-19(25)22-16-7-9-17(26-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVNLBZVRCKJXMRA-UHFFFAOYSA-N
XLogP2.54
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222928
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9167203
N-(4-chlorophenyl)-2-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-methylamino]acetamide
CID 8816106
2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
CID 2699169
N-[[4-(dimethylamino)phenyl]methyl]-2-[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 18087872
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171
N-[[4-(methoxymethyl)phenyl]methyl]-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetamide
CID 87012824
N-(furan-2-ylmethyl)-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 9222820
1-N-[(4-chlorophenyl)methyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109047359
2-[2-(4-chlorophenyl)sulfonylethyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 17496506
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(4-methylphenyl)methyl]acetamide
CID 27242216

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (CID 2658290) is N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is COc1ccc(NC(=O)CN(C)CC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is VNLBZVRCKJXMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-23(12-18(24)21-11-14-3-5-15(20)6-4-14)13-19(25)22-16-7-9-17(26-2)10-8-16/h3-10H,11-13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 375.86 g/mol, XLogP of 2.54, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 2658290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).