4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide

C18H19ClN2O2 — CID 978039

IUPAC4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-5-17(22)21-15-10-8-13(9-11-15)18(23)20-12-14-6-3-4-7-16(14)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyCDBHAFCWJRUVKK-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.01
Rot. Bonds6

About 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide

4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide (PubChem CID 978039) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide
PubChem CID978039
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide
SMILESCCCC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1
InChIInChI=1S/C18H19ClN2O2/c1-2-5-17(22)21-15-10-8-13(9-11-15)18(23)20-12-14-6-3-4-7-16(14)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,23)(H,21,22)
InChIKeyCDBHAFCWJRUVKK-UHFFFAOYSA-N
XLogP4.01
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide?
The IUPAC name of 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide (CID 978039) is 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide?
The canonical SMILES for 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide is CCCC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1.
What is the InChIKey of 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide?
The InChIKey is CDBHAFCWJRUVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-2-5-17(22)21-15-10-8-13(9-11-15)18(23)20-12-14-6-3-4-7-16(14)19/h3-4,6-11H,2,5,12H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide?
4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-[(2-chlorophenyl)methyl]benzamide is sourced from PubChem (CID 978039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).