N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide

C21H19FN4O4 — CID 3285972

IUPACN-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1/N=C/c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H19FN4O4/c1-2-18(27)24-17-6-4-3-5-16(17)23-11-15-19(28)25-21(30)26(20(15)29)12-13-7-9-14(22)10-8-13/h3-11,29H,2,12H2,1H3,(H,24,27)(H,25,28,30)/b23-11+
InChIKeyQQCRJOSAKCEUIR-FOKLQQMPSA-N
MW410.41 g/mol
LogP2.53
Rot. Bonds6

About N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide

N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide (PubChem CID 3285972) has the molecular formula C21H19FN4O4 and a molecular weight of 410.41 g/mol. Its IUPAC name is N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide
PubChem CID3285972
Molecular FormulaC21H19FN4O4
Molecular Weight410.41 g/mol
Exact Mass410.14
IUPAC NameN-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide
SMILESCCC(=O)Nc1ccccc1/N=C/c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C21H19FN4O4/c1-2-18(27)24-17-6-4-3-5-16(17)23-11-15-19(28)25-21(30)26(20(15)29)12-13-7-9-14(22)10-8-13/h3-11,29H,2,12H2,1H3,(H,24,27)(H,25,28,30)/b23-11+
InChIKeyQQCRJOSAKCEUIR-FOKLQQMPSA-N
XLogP2.53
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.41
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(5E)-6-hydroxy-3-(3-methylphenyl)-5-({[2-(piperidin-1-yl)ethyl]amino}methylidene)pyrimidine-2,4(3H,5H)-dione
CID 1947637
2-[[2-(6-amino-1-benzyl-3-ethyl-2,4-dioxopyrimidin-5-yl)-2-oxoethyl]-methylamino]-N-(3-fluorophenyl)acetamide
CID 2491586
(5E)-1-(4-fluorophenyl)-5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione
CID 135469945
(5E)-1-[(4-fluorophenyl)methyl]-5-[(2-phenylhydrazinyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 135538542
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
(5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-1-(2-phenylethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 659765
(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
CID 662574
(5E)-1-benzyl-5-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methylidene]-1,3-diazinane-2,4,6-trione
CID 1386802
(5E)-5-{[(2-aminophenyl)amino]methylidene}-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1414869
(5Z)-5-({[2-(diethylamino)ethyl]amino}methylidene)-3-(4-ethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 1607570
(5Z)-5-[[4-(diethylamino)anilino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1967839
5-[[4-(Diethylamino)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
CID 3368525

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide?
The IUPAC name of N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide (CID 3285972) is N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide.
What is the SMILES notation for N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide?
The canonical SMILES for N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide is CCC(=O)Nc1ccccc1/N=C/c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide?
The InChIKey is QQCRJOSAKCEUIR-FOKLQQMPSA-N. The full InChI is InChI=1S/C21H19FN4O4/c1-2-18(27)24-17-6-4-3-5-16(17)23-11-15-19(28)25-21(30)26(20(15)29)12-13-7-9-14(22)10-8-13/h3-11,29H,2,12H2,1H3,(H,24,27)(H,25,28,30)/b23-11+.
What are the key properties of N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide?
N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide has a molecular weight of 410.41 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[(4-fluorophenyl)methyl]-6-hydroxy-2,4-dioxopyrimidin-5-yl]methylideneamino]phenyl]propanamide is sourced from PubChem (CID 3285972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).