5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide

C16H22ClN3O3 — CID 119711773

IUPAC5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
SMILESCOCCNCC(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1
InChIInChI=1S/C16H22ClN3O3/c1-23-7-6-18-10-15(21)20-14-5-4-12(17)8-13(14)16(22)19-9-11-2-3-11/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyLDSPZDHBHDKWBF-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.65
Rot. Bonds9

About 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide

5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide (PubChem CID 119711773) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide.

Molecular Properties

Compound Name5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
PubChem CID119711773
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide
SMILESCOCCNCC(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1
InChIInChI=1S/C16H22ClN3O3/c1-23-7-6-18-10-15(21)20-14-5-4-12(17)8-13(14)16(22)19-9-11-2-3-11/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22)(H,20,21)
InChIKeyLDSPZDHBHDKWBF-UHFFFAOYSA-N
XLogP1.65
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide?
The IUPAC name of 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide (CID 119711773) is 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide.
What is the SMILES notation for 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide?
The canonical SMILES for 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide is COCCNCC(=O)Nc1ccc(Cl)cc1C(=O)NCC1CC1.
What is the InChIKey of 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide?
The InChIKey is LDSPZDHBHDKWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O3/c1-23-7-6-18-10-15(21)20-14-5-4-12(17)8-13(14)16(22)19-9-11-2-3-11/h4-5,8,11,18H,2-3,6-7,9-10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide?
5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide has a molecular weight of 339.82 g/mol, XLogP of 1.65, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(cyclopropylmethyl)-2-[[2-(2-methoxyethylamino)acetyl]amino]benzamide is sourced from PubChem (CID 119711773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).