2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide

C19H20Cl2N4O3 — CID 2658134

IUPAC2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N4O3/c1-25(11-17(26)23-14-7-8-15(20)16(21)9-14)12-18(27)24-19(28)22-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,23,26)(H2,22,24,27,28)
InChIKeyXKSVAIDLCXRENI-UHFFFAOYSA-N
MW423.30 g/mol
LogP2.89
Rot. Bonds7

About 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide

2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide (PubChem CID 2658134) has the molecular formula C19H20Cl2N4O3 and a molecular weight of 423.30 g/mol. Its IUPAC name is 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
PubChem CID2658134
Molecular FormulaC19H20Cl2N4O3
Molecular Weight423.30 g/mol
Exact Mass422.09
IUPAC Name2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide
SMILESCN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H20Cl2N4O3/c1-25(11-17(26)23-14-7-8-15(20)16(21)9-14)12-18(27)24-19(28)22-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,23,26)(H2,22,24,27,28)
InChIKeyXKSVAIDLCXRENI-UHFFFAOYSA-N
XLogP2.89
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.30
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The IUPAC name of 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide (CID 2658134) is 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide is CN(CC(=O)NC(=O)NCc1ccccc1)CC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide?
The InChIKey is XKSVAIDLCXRENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N4O3/c1-25(11-17(26)23-14-7-8-15(20)16(21)9-14)12-18(27)24-19(28)22-10-13-5-3-2-4-6-13/h2-9H,10-12H2,1H3,(H,23,26)(H2,22,24,27,28).
What are the key properties of 2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide?
2-[[2-(benzylcarbamoylamino)-2-oxoethyl]-methylamino]-N-(3,4-dichlorophenyl)acetamide has a molecular weight of 423.30 g/mol, XLogP of 2.89, 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-(3,4-dichlorophenyl)acetamide is sourced from PubChem (CID 2658134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).