4-chloro-2-methyl-N-prop-2-enylbenzamide

C11H12ClNO — CID 103775370

IUPAC4-chloro-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H12ClNO/c1-3-6-13-11(14)10-5-4-9(12)7-8(10)2/h3-5,7H,1,6H2,2H3,(H,13,14)
InChIKeyAESLQWFUVVVWNT-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.56
Rot. Bonds3

About 4-chloro-2-methyl-N-prop-2-enylbenzamide

4-chloro-2-methyl-N-prop-2-enylbenzamide (PubChem CID 103775370) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 4-chloro-2-methyl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-chloro-2-methyl-N-prop-2-enylbenzamide
PubChem CID103775370
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name4-chloro-2-methyl-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(Cl)cc1C
InChIInChI=1S/C11H12ClNO/c1-3-6-13-11(14)10-5-4-9(12)7-8(10)2/h3-5,7H,1,6H2,2H3,(H,13,14)
InChIKeyAESLQWFUVVVWNT-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-N-prop-2-enylbenzamide?
The IUPAC name of 4-chloro-2-methyl-N-prop-2-enylbenzamide (CID 103775370) is 4-chloro-2-methyl-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-chloro-2-methyl-N-prop-2-enylbenzamide?
The canonical SMILES for 4-chloro-2-methyl-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-2-methyl-N-prop-2-enylbenzamide?
The InChIKey is AESLQWFUVVVWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-3-6-13-11(14)10-5-4-9(12)7-8(10)2/h3-5,7H,1,6H2,2H3,(H,13,14).
What are the key properties of 4-chloro-2-methyl-N-prop-2-enylbenzamide?
4-chloro-2-methyl-N-prop-2-enylbenzamide has a molecular weight of 209.68 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-N-prop-2-enylbenzamide is sourced from PubChem (CID 103775370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).