N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide

C18H21ClF2N4O4 — CID 11561029

IUPACN-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide
SMILESCC(C)n1c(NCCNC(=O)CO)nc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C18H21ClF2N4O4/c1-10(2)25-17(28)15(19)16(24-18(25)23-6-5-22-14(27)8-26)29-9-11-3-4-12(20)7-13(11)21/h3-4,7,10,26H,5-6,8-9H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyGTPPRMOOOHMINQ-UHFFFAOYSA-N
MW430.84 g/mol
LogP1.86
Rot. Bonds9

About N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide

N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide (PubChem CID 11561029) has the molecular formula C18H21ClF2N4O4 and a molecular weight of 430.84 g/mol. Its IUPAC name is N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide
PubChem CID11561029
Molecular FormulaC18H21ClF2N4O4
Molecular Weight430.84 g/mol
Exact Mass430.12
IUPAC NameN-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide
SMILESCC(C)n1c(NCCNC(=O)CO)nc(OCc2ccc(F)cc2F)c(Cl)c1=O
InChIInChI=1S/C18H21ClF2N4O4/c1-10(2)25-17(28)15(19)16(24-18(25)23-6-5-22-14(27)8-26)29-9-11-3-4-12(20)7-13(11)21/h3-4,7,10,26H,5-6,8-9H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyGTPPRMOOOHMINQ-UHFFFAOYSA-N
XLogP1.86
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.84
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide?
The IUPAC name of N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide (CID 11561029) is N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide?
The canonical SMILES for N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide is CC(C)n1c(NCCNC(=O)CO)nc(OCc2ccc(F)cc2F)c(Cl)c1=O.
What is the InChIKey of N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide?
The InChIKey is GTPPRMOOOHMINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClF2N4O4/c1-10(2)25-17(28)15(19)16(24-18(25)23-6-5-22-14(27)8-26)29-9-11-3-4-12(20)7-13(11)21/h3-4,7,10,26H,5-6,8-9H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide?
N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide has a molecular weight of 430.84 g/mol, XLogP of 1.86, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-chloro-4-[(2,4-difluorophenyl)methoxy]-6-oxo-1-propan-2-ylpyrimidin-2-yl]amino]ethyl]-2-hydroxyacetamide is sourced from PubChem (CID 11561029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).