N-(4-chlorophenyl)-2-methylidenebutanediamide

C11H11ClN2O2 — CID 139973194

IUPACN-(4-chlorophenyl)-2-methylidenebutanediamide
SMILESC=C(CC(N)=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O2/c1-7(6-10(13)15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,1,6H2,(H2,13,15)(H,14,16)
InChIKeyQLXDWKSKGXBHEK-UHFFFAOYSA-N
MW238.67 g/mol
LogP1.71
Rot. Bonds4

About N-(4-chlorophenyl)-2-methylidenebutanediamide

N-(4-chlorophenyl)-2-methylidenebutanediamide (PubChem CID 139973194) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-methylidenebutanediamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-methylidenebutanediamide
PubChem CID139973194
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC NameN-(4-chlorophenyl)-2-methylidenebutanediamide
SMILESC=C(CC(N)=O)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H11ClN2O2/c1-7(6-10(13)15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,1,6H2,(H2,13,15)(H,14,16)
InChIKeyQLXDWKSKGXBHEK-UHFFFAOYSA-N
XLogP1.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-methylidenebutanediamide?
The IUPAC name of N-(4-chlorophenyl)-2-methylidenebutanediamide (CID 139973194) is N-(4-chlorophenyl)-2-methylidenebutanediamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-methylidenebutanediamide?
The canonical SMILES for N-(4-chlorophenyl)-2-methylidenebutanediamide is C=C(CC(N)=O)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-methylidenebutanediamide?
The InChIKey is QLXDWKSKGXBHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7(6-10(13)15)11(16)14-9-4-2-8(12)3-5-9/h2-5H,1,6H2,(H2,13,15)(H,14,16).
What are the key properties of N-(4-chlorophenyl)-2-methylidenebutanediamide?
N-(4-chlorophenyl)-2-methylidenebutanediamide has a molecular weight of 238.67 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-methylidenebutanediamide is sourced from PubChem (CID 139973194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).