N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide

C17H18ClFN4O3 — CID 66553214

IUPACN-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
InChIKeyGGNJJMKBSUZZTH-UHFFFAOYSA-N
MW380.81 g/mol
LogP1.59
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide

N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide (PubChem CID 66553214) has the molecular formula C17H18ClFN4O3 and a molecular weight of 380.81 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
PubChem CID66553214
Molecular FormulaC17H18ClFN4O3
Molecular Weight380.81 g/mol
Exact Mass380.11
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide
SMILESCn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)cc1=O
InChIInChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24)
InChIKeyGGNJJMKBSUZZTH-UHFFFAOYSA-N
XLogP1.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide (CID 66553214) is N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide is Cn1c(CC(=O)Nc2ccc(F)c(Cl)c2)nc(N2CCOCC2)cc1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
The InChIKey is GGNJJMKBSUZZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN4O3/c1-22-14(9-16(24)20-11-2-3-13(19)12(18)8-11)21-15(10-17(22)25)23-4-6-26-7-5-23/h2-3,8,10H,4-7,9H2,1H3,(H,20,24).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide?
N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide has a molecular weight of 380.81 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(1-methyl-4-morpholin-4-yl-6-oxopyrimidin-2-yl)acetamide is sourced from PubChem (CID 66553214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).