N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide

C16H14ClN3O3 — CID 177328690

IUPACN-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
SMILESO=CNC(C(=O)c1ccc(Cl)cc1)n1ccc(C2CC2)nc1=O
InChIInChI=1S/C16H14ClN3O3/c17-12-5-3-11(4-6-12)14(22)15(18-9-21)20-8-7-13(10-1-2-10)19-16(20)23/h3-10,15H,1-2H2,(H,18,21)
InChIKeyZOQPQFNFIKGTSV-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.90
Rot. Bonds6

About N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide

N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide (PubChem CID 177328690) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
PubChem CID177328690
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
SMILESO=CNC(C(=O)c1ccc(Cl)cc1)n1ccc(C2CC2)nc1=O
InChIInChI=1S/C16H14ClN3O3/c17-12-5-3-11(4-6-12)14(22)15(18-9-21)20-8-7-13(10-1-2-10)19-16(20)23/h3-10,15H,1-2H2,(H,18,21)
InChIKeyZOQPQFNFIKGTSV-UHFFFAOYSA-N
XLogP1.90
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide?
The IUPAC name of N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide (CID 177328690) is N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide is O=CNC(C(=O)c1ccc(Cl)cc1)n1ccc(C2CC2)nc1=O.
What is the InChIKey of N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide?
The InChIKey is ZOQPQFNFIKGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c17-12-5-3-11(4-6-12)14(22)15(18-9-21)20-8-7-13(10-1-2-10)19-16(20)23/h3-10,15H,1-2H2,(H,18,21).
What are the key properties of N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide?
N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide has a molecular weight of 331.76 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide is sourced from PubChem (CID 177328690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).