2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide

C19H16N4O5 — CID 16565921

IUPAC2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16N4O5/c24-17(20-15-6-8-16(9-7-15)23(27)28)13-22-18(25)10-11-21(19(22)26)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,24)
InChIKeyDWLZWNWWOGZWOZ-UHFFFAOYSA-N
MW380.36 g/mol
LogP1.61
Rot. Bonds6

About 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide (PubChem CID 16565921) has the molecular formula C19H16N4O5 and a molecular weight of 380.36 g/mol. Its IUPAC name is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
PubChem CID16565921
Molecular FormulaC19H16N4O5
Molecular Weight380.36 g/mol
Exact Mass380.11
IUPAC Name2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H16N4O5/c24-17(20-15-6-8-16(9-7-15)23(27)28)13-22-18(25)10-11-21(19(22)26)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,24)
InChIKeyDWLZWNWWOGZWOZ-UHFFFAOYSA-N
XLogP1.61
TPSA116.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-bromophenyl)acetamide
CID 9138324
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17498072
(4-nitrophenyl)methyl 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetate
CID 9136770
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-prop-2-enylacetamide
CID 9207698
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[4-(difluoromethoxy)-3-fluorophenyl]acetamide
CID 112845975
2-(benzylamino)-N-(4-nitrophenyl)acetamide
CID 2985655
N-(4-nitrophenyl)-2-phenylsulfanylacetamide
CID 3879245
(2S)-2-[[2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]-N-ethylpropanamide
CID 9470737
2-[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]-N-(4-nitrophenyl)acetamide
CID 16632905
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-[2-(N-methylanilino)propyl]acetamide
CID 112826982
N-(2-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2,6-dioxopyrimidin-1-yl]acetamide
CID 50755527
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112795849

Frequently Asked Questions

What is the IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide?
The IUPAC name of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide (CID 16565921) is 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide.
What is the SMILES notation for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide?
The canonical SMILES for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide?
The InChIKey is DWLZWNWWOGZWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O5/c24-17(20-15-6-8-16(9-7-15)23(27)28)13-22-18(25)10-11-21(19(22)26)12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,20,24).
What are the key properties of 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide?
2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide has a molecular weight of 380.36 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-benzyl-2,6-dioxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide is sourced from PubChem (CID 16565921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).