N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide

C16H12ClF2N3O3 — CID 177328855

IUPACN-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
SMILESO=CNC(C(=O)c1cc(F)c(Cl)c(F)c1)n1ccc(C2CC2)nc1=O
InChIInChI=1S/C16H12ClF2N3O3/c17-13-10(18)5-9(6-11(13)19)14(24)15(20-7-23)22-4-3-12(8-1-2-8)21-16(22)25/h3-8,15H,1-2H2,(H,20,23)
InChIKeyQXWJICIJUPERRT-UHFFFAOYSA-N
MW367.74 g/mol
LogP2.18
Rot. Bonds6

About N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide

N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide (PubChem CID 177328855) has the molecular formula C16H12ClF2N3O3 and a molecular weight of 367.74 g/mol. Its IUPAC name is N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
PubChem CID177328855
Molecular FormulaC16H12ClF2N3O3
Molecular Weight367.74 g/mol
Exact Mass367.05
IUPAC NameN-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
SMILESO=CNC(C(=O)c1cc(F)c(Cl)c(F)c1)n1ccc(C2CC2)nc1=O
InChIInChI=1S/C16H12ClF2N3O3/c17-13-10(18)5-9(6-11(13)19)14(24)15(20-7-23)22-4-3-12(8-1-2-8)21-16(22)25/h3-8,15H,1-2H2,(H,20,23)
InChIKeyQXWJICIJUPERRT-UHFFFAOYSA-N
XLogP2.18
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328680
3-chloro-N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(4-fluorophenyl)-2-oxoethyl]benzamide
CID 177328701
N-[1-[4-(2-methylpropyl)-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328706
N-[2-(4-chloro-3-fluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
CID 177328762
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3,5-difluoro-4-methylphenyl)-2-oxoethyl]formamide
CID 177328764
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3,4-difluorophenyl)-2-oxoethyl]formamide
CID 177328768
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(3-fluoro-4-methylphenyl)-2-oxoethyl]formamide
CID 177328844
N-[1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-(4-fluorophenyl)-2-oxoethyl]formamide
CID 177328858
N-[1-[4-[(1S,2R)-2-fluorocyclopropyl]-2-oxopyrimidin-1-yl]-2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]formamide
CID 177328860
CID 178834654
CID 178834654
1-[2-(4-Chloro-3-fluorophenyl)-1-(ethenylamino)-2-oxoethyl]-4-cyclopropylpyrimidin-2-one
CID 177328721
N-[2-(4-chlorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide
CID 177328690

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide?
The IUPAC name of N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide (CID 177328855) is N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide.
What is the SMILES notation for N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide?
The canonical SMILES for N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide is O=CNC(C(=O)c1cc(F)c(Cl)c(F)c1)n1ccc(C2CC2)nc1=O.
What is the InChIKey of N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide?
The InChIKey is QXWJICIJUPERRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3O3/c17-13-10(18)5-9(6-11(13)19)14(24)15(20-7-23)22-4-3-12(8-1-2-8)21-16(22)25/h3-8,15H,1-2H2,(H,20,23).
What are the key properties of N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide?
N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide has a molecular weight of 367.74 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-3,5-difluorophenyl)-1-(4-cyclopropyl-2-oxopyrimidin-1-yl)-2-oxoethyl]formamide is sourced from PubChem (CID 177328855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).