2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide

C20H18ClNO2 — CID 112811410

IUPAC2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-3-13-22(14-4-2)20(24)18-8-6-5-7-17(18)19(23)15-9-11-16(21)12-10-15/h3-12H,1-2,13-14H2
InChIKeyBQZSBDXEHURKQP-UHFFFAOYSA-N
MW339.82 g/mol
LogP4.39
Rot. Bonds7

About 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide

2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide (PubChem CID 112811410) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

Compound Name2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide
PubChem CID112811410
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide
SMILESC=CCN(CC=C)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-3-13-22(14-4-2)20(24)18-8-6-5-7-17(18)19(23)15-9-11-16(21)12-10-15/h3-12H,1-2,13-14H2
InChIKeyBQZSBDXEHURKQP-UHFFFAOYSA-N
XLogP4.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide?
The IUPAC name of 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide (CID 112811410) is 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide.
What is the SMILES notation for 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide?
The canonical SMILES for 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide?
The InChIKey is BQZSBDXEHURKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-3-13-22(14-4-2)20(24)18-8-6-5-7-17(18)19(23)15-9-11-16(21)12-10-15/h3-12H,1-2,13-14H2.
What are the key properties of 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide?
2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 339.82 g/mol, XLogP of 4.39, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 112811410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).