2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide

C16H23ClN2O — CID 67677744

IUPAC2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(Cl)cccc1NC(C)(CC)CC
InChIInChI=1S/C16H23ClN2O/c1-5-11-18-15(20)14-12(17)9-8-10-13(14)19-16(4,6-2)7-3/h5,8-10,19H,1,6-7,11H2,2-4H3,(H,18,20)
InChIKeyJXXZKKMUCLQVCV-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.25
Rot. Bonds7

About 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide

2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide (PubChem CID 67677744) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide
PubChem CID67677744
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1c(Cl)cccc1NC(C)(CC)CC
InChIInChI=1S/C16H23ClN2O/c1-5-11-18-15(20)14-12(17)9-8-10-13(14)19-16(4,6-2)7-3/h5,8-10,19H,1,6-7,11H2,2-4H3,(H,18,20)
InChIKeyJXXZKKMUCLQVCV-UHFFFAOYSA-N
XLogP4.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide?
The IUPAC name of 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide (CID 67677744) is 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide.
What is the SMILES notation for 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide?
The canonical SMILES for 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide is C=CCNC(=O)c1c(Cl)cccc1NC(C)(CC)CC.
What is the InChIKey of 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide?
The InChIKey is JXXZKKMUCLQVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-5-11-18-15(20)14-12(17)9-8-10-13(14)19-16(4,6-2)7-3/h5,8-10,19H,1,6-7,11H2,2-4H3,(H,18,20).
What are the key properties of 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide?
2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide has a molecular weight of 294.83 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-methylpentan-3-ylamino)-N-prop-2-enylbenzamide is sourced from PubChem (CID 67677744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).