2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

C19H19ClN2O3 — CID 2986299

IUPAC2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c20-14-9-7-13(8-10-14)18(23)22-17-6-2-1-5-16(17)19(24)21-12-15-4-3-11-25-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,24)(H,22,23)
InChIKeyCGAXJKHTWBADIE-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.50
Rot. Bonds5

About 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide

2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 2986299) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
PubChem CID2986299
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide
SMILESO=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccc(Cl)cc1
InChIInChI=1S/C19H19ClN2O3/c20-14-9-7-13(8-10-14)18(23)22-17-6-2-1-5-16(17)19(24)21-12-15-4-3-11-25-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,24)(H,22,23)
InChIKeyCGAXJKHTWBADIE-UHFFFAOYSA-N
XLogP3.50
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide (CID 2986299) is 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is O=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CGAXJKHTWBADIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-14-9-7-13(8-10-14)18(23)22-17-6-2-1-5-16(17)19(24)21-12-15-4-3-11-25-15/h1-2,5-10,15H,3-4,11-12H2,(H,21,24)(H,22,23).
What are the key properties of 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide?
2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 358.83 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorobenzoyl)amino]-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 2986299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).