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

C18H19ClN4O3 — CID 2549422

IUPAC4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H19ClN4O3/c1-23(11-17(25)22-15-5-3-2-4-14(15)19)10-16(24)21-13-8-6-12(7-9-13)18(20)26/h2-9H,10-11H2,1H3,(H2,20,26)(H,21,24)(H,22,25)
InChIKeyKFXKQIQEBZCVIK-UHFFFAOYSA-N
MW374.83 g/mol
LogP1.95
Rot. Bonds7

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

4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (PubChem CID 2549422) has the molecular formula C18H19ClN4O3 and a molecular weight of 374.83 g/mol. Its IUPAC name is 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.

Molecular Properties

Compound Name4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
PubChem CID2549422
Molecular FormulaC18H19ClN4O3
Molecular Weight374.83 g/mol
Exact Mass374.11
IUPAC Name4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide
SMILESCN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H19ClN4O3/c1-23(11-17(25)22-15-5-3-2-4-14(15)19)10-16(24)21-13-8-6-12(7-9-13)18(20)26/h2-9H,10-11H2,1H3,(H2,20,26)(H,21,24)(H,22,25)
InChIKeyKFXKQIQEBZCVIK-UHFFFAOYSA-N
XLogP1.95
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The IUPAC name of 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide (CID 2549422) is 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide.
What is the SMILES notation for 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The canonical SMILES for 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is CN(CC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
The InChIKey is KFXKQIQEBZCVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O3/c1-23(11-17(25)22-15-5-3-2-4-14(15)19)10-16(24)21-13-8-6-12(7-9-13)18(20)26/h2-9H,10-11H2,1H3,(H2,20,26)(H,21,24)(H,22,25).
What are the key properties of 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide?
4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide has a molecular weight of 374.83 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzamide is sourced from PubChem (CID 2549422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).