1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione

C19H20ClN3O2 — CID 155903554

IUPAC1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione
SMILESCc1c(Cl)cccc1NC1CC(=O)N(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20ClN3O2/c1-13-15(20)9-6-10-16(13)21-17-11-18(24)22(2)19(25)23(17)12-14-7-4-3-5-8-14/h3-10,17,21H,11-12H2,1-2H3
InChIKeyHKMHJNNLFPCRGB-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.87
Rot. Bonds4

About 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione

1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione (PubChem CID 155903554) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione
PubChem CID155903554
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione
SMILESCc1c(Cl)cccc1NC1CC(=O)N(C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20ClN3O2/c1-13-15(20)9-6-10-16(13)21-17-11-18(24)22(2)19(25)23(17)12-14-7-4-3-5-8-14/h3-10,17,21H,11-12H2,1-2H3
InChIKeyHKMHJNNLFPCRGB-UHFFFAOYSA-N
XLogP3.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione 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 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione (CID 155903554) is 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione is Cc1c(Cl)cccc1NC1CC(=O)N(C)C(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione?
The InChIKey is HKMHJNNLFPCRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-13-15(20)9-6-10-16(13)21-17-11-18(24)22(2)19(25)23(17)12-14-7-4-3-5-8-14/h3-10,17,21H,11-12H2,1-2H3.
What are the key properties of 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione?
1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione has a molecular weight of 357.84 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-(3-chloro-2-methylanilino)-3-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 155903554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).