1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione

C19H15ClN4O3 — CID 58578605

IUPAC1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione
SMILESCc1cc2cc(Nc3nc(=O)[nH]c(=O)n3Cc3ccc(Cl)cc3)ccc2o1
InChIInChI=1S/C19H15ClN4O3/c1-11-8-13-9-15(6-7-16(13)27-11)21-17-22-18(25)23-19(26)24(17)10-12-2-4-14(20)5-3-12/h2-9H,10H2,1H3,(H2,21,22,23,25,26)
InChIKeyLINZAOUDZMSNFJ-UHFFFAOYSA-N
MW382.81 g/mol
LogP3.43
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione

1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione (PubChem CID 58578605) has the molecular formula C19H15ClN4O3 and a molecular weight of 382.81 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione
PubChem CID58578605
Molecular FormulaC19H15ClN4O3
Molecular Weight382.81 g/mol
Exact Mass382.08
IUPAC Name1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione
SMILESCc1cc2cc(Nc3nc(=O)[nH]c(=O)n3Cc3ccc(Cl)cc3)ccc2o1
InChIInChI=1S/C19H15ClN4O3/c1-11-8-13-9-15(6-7-16(13)27-11)21-17-22-18(25)23-19(26)24(17)10-12-2-4-14(20)5-3-12/h2-9H,10H2,1H3,(H2,21,22,23,25,26)
InChIKeyLINZAOUDZMSNFJ-UHFFFAOYSA-N
XLogP3.43
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.81
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione (CID 58578605) is 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione is Cc1cc2cc(Nc3nc(=O)[nH]c(=O)n3Cc3ccc(Cl)cc3)ccc2o1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione?
The InChIKey is LINZAOUDZMSNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O3/c1-11-8-13-9-15(6-7-16(13)27-11)21-17-22-18(25)23-19(26)24(17)10-12-2-4-14(20)5-3-12/h2-9H,10H2,1H3,(H2,21,22,23,25,26).
What are the key properties of 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione?
1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione has a molecular weight of 382.81 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-6-[(2-methyl-1-benzofuran-5-yl)amino]-1,3,5-triazine-2,4-dione is sourced from PubChem (CID 58578605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).