2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide

C18H13ClN4O4 — CID 30935810

IUPAC2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13ClN4O4/c19-13-6-4-12(5-7-13)16-9-18(25)22(11-20-16)10-17(24)21-14-2-1-3-15(8-14)23(26)27/h1-9,11H,10H2,(H,21,24)
InChIKeyNICKANMDXJABTE-UHFFFAOYSA-N
MW384.78 g/mol
LogP3.11
Rot. Bonds5

About 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide

2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide (PubChem CID 30935810) has the molecular formula C18H13ClN4O4 and a molecular weight of 384.78 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide
PubChem CID30935810
Molecular FormulaC18H13ClN4O4
Molecular Weight384.78 g/mol
Exact Mass384.06
IUPAC Name2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide
SMILESO=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H13ClN4O4/c19-13-6-4-12(5-7-13)16-9-18(25)22(11-20-16)10-17(24)21-14-2-1-3-15(8-14)23(26)27/h1-9,11H,10H2,(H,21,24)
InChIKeyNICKANMDXJABTE-UHFFFAOYSA-N
XLogP3.11
TPSA107.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.78
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(6-chloro-4-oxoquinazolin-3-yl)-N-(3-nitrophenyl)acetamide
CID 9355985
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(2-methoxy-5-nitrophenyl)acetamide
CID 30935973
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-pyridin-2-ylacetamide
CID 30935825
N-(2-chlorophenyl)-2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]acetamide
CID 30935880
N-(2-methoxy-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]acetamide
CID 121063856
2-[4-[2-(3-nitroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-nitrophenyl)acetamide;hydrochloride
CID 175654144
N-(3,5-dichlorophenyl)-2-[3-(3-nitrophenyl)-6-oxopyridazin-1-yl]acetamide
CID 41376567
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(4-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)acetamide
CID 121063962
2-[[6-(4-chlorophenyl)-3-cyano-4-phenyl-2-pyridinyl]sulfanyl]-N-(3-nitrophenyl)acetamide
CID 3125459
N-(4-chlorophenyl)-2-(6-oxo-4-thiophen-2-ylpyrimidin-1-yl)acetamide
CID 121090832
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(3-nitrophenyl)acetamide
CID 7118729

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide (CID 30935810) is 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide is O=C(Cn1cnc(-c2ccc(Cl)cc2)cc1=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide?
The InChIKey is NICKANMDXJABTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O4/c19-13-6-4-12(5-7-13)16-9-18(25)22(11-20-16)10-17(24)21-14-2-1-3-15(8-14)23(26)27/h1-9,11H,10H2,(H,21,24).
What are the key properties of 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide?
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide has a molecular weight of 384.78 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 30935810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).