N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide

C19H24ClN5O2 — CID 2730680

IUPACN-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(NC(=O)C(C)(C)C)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H24ClN5O2/c1-18(2,3)14(26)23-16-21-13(11-9-7-8-10-12(11)20)22-17(25-16)24-15(27)19(4,5)6/h7-10H,1-6H3,(H2,21,22,23,24,25,26,27)
InChIKeyKPEVOTCUPKLDEO-UHFFFAOYSA-N
MW389.89 g/mol
LogP4.16
Rot. Bonds3

About N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide

N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide (PubChem CID 2730680) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide
PubChem CID2730680
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC NameN-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)Nc1nc(NC(=O)C(C)(C)C)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C19H24ClN5O2/c1-18(2,3)14(26)23-16-21-13(11-9-7-8-10-12(11)20)22-17(25-16)24-15(27)19(4,5)6/h7-10H,1-6H3,(H2,21,22,23,24,25,26,27)
InChIKeyKPEVOTCUPKLDEO-UHFFFAOYSA-N
XLogP4.16
TPSA96.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide (CID 2730680) is N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)Nc1nc(NC(=O)C(C)(C)C)nc(-c2ccccc2Cl)n1.
What is the InChIKey of N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is KPEVOTCUPKLDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-18(2,3)14(26)23-16-21-13(11-9-7-8-10-12(11)20)22-17(25-16)24-15(27)19(4,5)6/h7-10H,1-6H3,(H2,21,22,23,24,25,26,27).
What are the key properties of N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide?
N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 389.89 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chlorophenyl)-6-(2,2-dimethylpropanoylamino)-1,3,5-triazin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 2730680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).