4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

C20H18Cl2FN3O3 — CID 2962581

IUPAC4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCOc1c(Cl)cc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C20H18Cl2FN3O3/c1-3-29-18-14(21)8-11(9-15(18)22)17-16(10(2)24-20(28)26-17)19(27)25-13-6-4-12(23)5-7-13/h4-9,17H,3H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyGMJNVCJPUXYLSY-UHFFFAOYSA-N
MW438.29 g/mol
LogP4.80
Rot. Bonds5

About 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide

4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (PubChem CID 2962581) has the molecular formula C20H18Cl2FN3O3 and a molecular weight of 438.29 g/mol. Its IUPAC name is 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
PubChem CID2962581
Molecular FormulaC20H18Cl2FN3O3
Molecular Weight438.29 g/mol
Exact Mass437.07
IUPAC Name4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
SMILESCCOc1c(Cl)cc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1Cl
InChIInChI=1S/C20H18Cl2FN3O3/c1-3-29-18-14(21)8-11(9-15(18)22)17-16(10(2)24-20(28)26-17)19(27)25-13-6-4-12(23)5-7-13/h4-9,17H,3H2,1-2H3,(H,25,27)(H2,24,26,28)
InChIKeyGMJNVCJPUXYLSY-UHFFFAOYSA-N
XLogP4.80
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 54.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N,4-bis(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 962637
(4R)-4-(3-ethoxy-4-prop-2-enoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 27087934
(4R)-4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111485
(4S)-4-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1111486
(4S)-4-(4-bromophenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40606898
(4R)-N-(4-bromophenyl)-4-(4-ethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 40840577
(4R)-4-(3,4-dichlorophenyl)-N-(4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7720759
(4R)-4-[4-(dimethylamino)phenyl]-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 7110409
(4S)-4-(4-chlorophenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 1014349
N-(4-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2860777
4-(2-chloro-5-ethoxy-4-hydroxyphenyl)-N-(3,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2958303
4-(3-ethoxy-4-hydroxyphenyl)-6-methyl-2-oxo-N-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 4770389

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The IUPAC name of 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide (CID 2962581) is 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is CCOc1c(Cl)cc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(F)cc2)cc1Cl.
What is the InChIKey of 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
The InChIKey is GMJNVCJPUXYLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2FN3O3/c1-3-29-18-14(21)8-11(9-15(18)22)17-16(10(2)24-20(28)26-17)19(27)25-13-6-4-12(23)5-7-13/h4-9,17H,3H2,1-2H3,(H,25,27)(H2,24,26,28).
What are the key properties of 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide?
4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide has a molecular weight of 438.29 g/mol, XLogP of 4.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dichloro-4-ethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 2962581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).