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

C19H21ClN4O3 — CID 2699169

IUPAC2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
SMILESCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-24(12-17(25)22-16-9-7-15(20)8-10-16)13-18(26)23-19(27)21-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,22,25)(H2,21,23,26,27)
InChIKeyXFSMAVKGCSMCFM-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.24
Rot. Bonds7

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

2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide (PubChem CID 2699169) has the molecular formula C19H21ClN4O3 and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
PubChem CID2699169
Molecular FormulaC19H21ClN4O3
Molecular Weight388.86 g/mol
Exact Mass388.13
IUPAC Name2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide
SMILESCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN4O3/c1-24(12-17(25)22-16-9-7-15(20)8-10-16)13-18(26)23-19(27)21-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,22,25)(H2,21,23,26,27)
InChIKeyXFSMAVKGCSMCFM-UHFFFAOYSA-N
XLogP2.24
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-phenylethyl)acetamide
CID 18078825
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
N-(benzylcarbamoyl)-2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]acetamide
CID 18196365
N-[(4-chlorophenyl)methyl]-2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658290
3-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119912328
N-[(4-chlorophenyl)methyl]-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9253245
N-(benzylcarbamoyl)-2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetamide
CID 18097332
3-[benzyl(methyl)amino]-N-(4-chlorophenyl)propanamide
CID 882844
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
2-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 16555132
N-(benzylcarbamoyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197304

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide (CID 2699169) is 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide is CN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide?
The InChIKey is XFSMAVKGCSMCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O3/c1-24(12-17(25)22-16-9-7-15(20)8-10-16)13-18(26)23-19(27)21-11-14-5-3-2-4-6-14/h2-10H,11-13H2,1H3,(H,22,25)(H2,21,23,26,27).
What are the key properties of 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide?
2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide has a molecular weight of 388.86 g/mol, XLogP of 2.24, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 2699169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).