2,5-dichloro-N-prop-2-enylbenzamide

C10H9Cl2NO — CID 2169579

IUPAC2,5-dichloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2NO/c1-2-5-13-10(14)8-6-7(11)3-4-9(8)12/h2-4,6H,1,5H2,(H,13,14)
InChIKeyRBKDOTXTXUYHNT-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.91
Rot. Bonds3

About 2,5-dichloro-N-prop-2-enylbenzamide

2,5-dichloro-N-prop-2-enylbenzamide (PubChem CID 2169579) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 2,5-dichloro-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2,5-dichloro-N-prop-2-enylbenzamide
PubChem CID2169579
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name2,5-dichloro-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H9Cl2NO/c1-2-5-13-10(14)8-6-7(11)3-4-9(8)12/h2-4,6H,1,5H2,(H,13,14)
InChIKeyRBKDOTXTXUYHNT-UHFFFAOYSA-N
XLogP2.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,5-dichloro-N-prop-2-enylbenzamide?
The IUPAC name of 2,5-dichloro-N-prop-2-enylbenzamide (CID 2169579) is 2,5-dichloro-N-prop-2-enylbenzamide.
What is the SMILES notation for 2,5-dichloro-N-prop-2-enylbenzamide?
The canonical SMILES for 2,5-dichloro-N-prop-2-enylbenzamide is C=CCNC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-prop-2-enylbenzamide?
The InChIKey is RBKDOTXTXUYHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c1-2-5-13-10(14)8-6-7(11)3-4-9(8)12/h2-4,6H,1,5H2,(H,13,14).
What are the key properties of 2,5-dichloro-N-prop-2-enylbenzamide?
2,5-dichloro-N-prop-2-enylbenzamide has a molecular weight of 230.09 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-prop-2-enylbenzamide is sourced from PubChem (CID 2169579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).