N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide

C19H22ClFN4O3 — CID 51364970

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)NCc2ccc(F)c(Cl)c2)c(N2CCCC2)n1
InChIInChI=1S/C19H22ClFN4O3/c1-28-12-14-9-18(27)25(19(23-14)24-6-2-3-7-24)11-17(26)22-10-13-4-5-16(21)15(20)8-13/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,22,26)
InChIKeyLVCMACBEANSYSS-UHFFFAOYSA-N
MW408.86 g/mol
LogP2.10
Rot. Bonds7

About N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide (PubChem CID 51364970) has the molecular formula C19H22ClFN4O3 and a molecular weight of 408.86 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
PubChem CID51364970
Molecular FormulaC19H22ClFN4O3
Molecular Weight408.86 g/mol
Exact Mass408.14
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
SMILESCOCc1cc(=O)n(CC(=O)NCc2ccc(F)c(Cl)c2)c(N2CCCC2)n1
InChIInChI=1S/C19H22ClFN4O3/c1-28-12-14-9-18(27)25(19(23-14)24-6-2-3-7-24)11-17(26)22-10-13-4-5-16(21)15(20)8-13/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,22,26)
InChIKeyLVCMACBEANSYSS-UHFFFAOYSA-N
XLogP2.10
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.86
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-bromophenyl)methyl]-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 51369876
N-(2,5-dimethylphenyl)-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide
CID 51364938
2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 51364963
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 91888369
3-(3-chloro-4-fluorophenyl)-N-[(4-methoxy-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]propanamide
CID 122253619
N-(4-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201688
N-(2,3-dihydro-1H-inden-1-yl)-2-[4-(methoxymethyl)-2-morpholin-4-yl-6-oxopyrimidin-1-yl]acetamide
CID 51363395
(3R)-N-[(3-chloro-4-fluorophenyl)methyl]-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 95115725
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-oxoquinolin-1-yl]acetamide
CID 51369473
N-(2-chlorophenyl)-2-(4-methyl-6-oxo-2-piperidin-1-ylpyrimidin-1-yl)acetamide
CID 53201687
N-[(3-chloro-4-fluorophenyl)methyl]-2-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]acetamide
CID 53173920
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2-methoxyacetyl)piperidine-3-carboxamide
CID 72924717

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide (CID 51364970) is N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide is COCc1cc(=O)n(CC(=O)NCc2ccc(F)c(Cl)c2)c(N2CCCC2)n1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide?
The InChIKey is LVCMACBEANSYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O3/c1-28-12-14-9-18(27)25(19(23-14)24-6-2-3-7-24)11-17(26)22-10-13-4-5-16(21)15(20)8-13/h4-5,8-9H,2-3,6-7,10-12H2,1H3,(H,22,26).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide has a molecular weight of 408.86 g/mol, XLogP of 2.10, 7 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)methyl]-2-[4-(methoxymethyl)-6-oxo-2-pyrrolidin-1-ylpyrimidin-1-yl]acetamide is sourced from PubChem (CID 51364970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).