4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide

C20H23ClN4O3 — CID 2469951

IUPAC4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H23ClN4O3/c1-2-25(12-18(26)23-11-14-3-7-16(21)8-4-14)13-19(27)24-17-9-5-15(6-10-17)20(22)28/h3-10H,2,11-13H2,1H3,(H2,22,28)(H,23,26)(H,24,27)
InChIKeyRGLQLDOLMYBKAK-UHFFFAOYSA-N
MW402.88 g/mol
LogP2.02
Rot. Bonds9

About 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide

4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide (PubChem CID 2469951) has the molecular formula C20H23ClN4O3 and a molecular weight of 402.88 g/mol. Its IUPAC name is 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide
PubChem CID2469951
Molecular FormulaC20H23ClN4O3
Molecular Weight402.88 g/mol
Exact Mass402.15
IUPAC Name4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H23ClN4O3/c1-2-25(12-18(26)23-11-14-3-7-16(21)8-4-14)13-19(27)24-17-9-5-15(6-10-17)20(22)28/h3-10H,2,11-13H2,1H3,(H2,22,28)(H,23,26)(H,24,27)
InChIKeyRGLQLDOLMYBKAK-UHFFFAOYSA-N
XLogP2.02
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.88
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide (CID 2469951) is 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide is CCN(CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide?
The InChIKey is RGLQLDOLMYBKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3/c1-2-25(12-18(26)23-11-14-3-7-16(21)8-4-14)13-19(27)24-17-9-5-15(6-10-17)20(22)28/h3-10H,2,11-13H2,1H3,(H2,22,28)(H,23,26)(H,24,27).
What are the key properties of 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide?
4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide has a molecular weight of 402.88 g/mol, XLogP of 2.02, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylamino]acetyl]amino]benzamide is sourced from PubChem (CID 2469951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).