N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide

C19H17N3O3 — CID 2148487

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide
SMILESCn1c(NC(=O)c2ccc(-c3ccccc3)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O3/c1-21-16(12-17(23)22(2)19(21)25)20-18(24)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,24)
InChIKeyLXHDAOBRMGOIAA-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.00
Rot. Bonds3

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide (PubChem CID 2148487) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide
PubChem CID2148487
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide
SMILESCn1c(NC(=O)c2ccc(-c3ccccc3)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C19H17N3O3/c1-21-16(12-17(23)22(2)19(21)25)20-18(24)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,24)
InChIKeyLXHDAOBRMGOIAA-UHFFFAOYSA-N
XLogP2.00
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide (CID 2148487) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide is Cn1c(NC(=O)c2ccc(-c3ccccc3)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide?
The InChIKey is LXHDAOBRMGOIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-21-16(12-17(23)22(2)19(21)25)20-18(24)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,20,24).
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide has a molecular weight of 335.36 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-4-phenylbenzamide is sourced from PubChem (CID 2148487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).