1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide

C18H12Cl2FN3O3 — CID 142894565

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(F)cc2Cl)c(=O)n(-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C18H12Cl2FN3O3/c19-11-2-1-3-13(6-11)24-17(26)14(16(22)25)9-23(18(24)27)8-10-4-5-12(21)7-15(10)20/h1-7,9H,8H2,(H2,22,25)
InChIKeyJHKFPVAIFBMSFV-UHFFFAOYSA-N
MW408.22 g/mol
LogP2.59
Rot. Bonds4

About 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide

1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 142894565) has the molecular formula C18H12Cl2FN3O3 and a molecular weight of 408.22 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID142894565
Molecular FormulaC18H12Cl2FN3O3
Molecular Weight408.22 g/mol
Exact Mass407.02
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESNC(=O)c1cn(Cc2ccc(F)cc2Cl)c(=O)n(-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C18H12Cl2FN3O3/c19-11-2-1-3-13(6-11)24-17(26)14(16(22)25)9-23(18(24)27)8-10-4-5-12(21)7-15(10)20/h1-7,9H,8H2,(H2,22,25)
InChIKeyJHKFPVAIFBMSFV-UHFFFAOYSA-N
XLogP2.59
TPSA87.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.22
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 142894555
3-(4-fluorophenyl)-1-(2-methoxyethyl)-2,4-dioxopyrimidine-5-carboxamide
CID 175771443
6-chloro-1-[(2-chloro-4-fluorophenyl)methyl]-3-(pyridine-4-carbonyl)quinolin-4-one
CID 52998469
5-N-[(2-chloro-4-fluorophenyl)methyl]-3-N,3-N,2-trimethyl-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68881463
1-[(2,4-dichlorophenyl)methyl]-N-(2,5-difluorophenyl)-2-oxopyridine-3-carboxamide
CID 7599310
(E)-3-[1-[(2-chloro-4-fluorophenyl)methyl]pyrrol-2-yl]-N-hydroxyprop-2-enamide
CID 87266058
3-benzoyl-1-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-1,8-naphthyridin-4-one
CID 50759387
5-bromo-1-[(2-chloro-4-fluorophenyl)methyl]pyrrole-3-carboxylic acid
CID 79113388
5-amino-6-chloro-3-[(2-chloro-4-fluorophenyl)methyl]pyrimidin-4-one
CID 114582636
1-[(2-chloro-5-fluorophenyl)methyl]-2-oxopyridine-3-carbothioamide
CID 107017905
2-chloro-4-fluorobenzamide;2-(3-chlorophenyl)ethenesulfonic acid
CID 174564812
1-[(2-chloro-4-fluorophenyl)methyl]-3-(4-fluorobenzoyl)-7-methyl-1,8-naphthyridin-4-one
CID 50759461

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide (CID 142894565) is 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide is NC(=O)c1cn(Cc2ccc(F)cc2Cl)c(=O)n(-c2cccc(Cl)c2)c1=O.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is JHKFPVAIFBMSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2FN3O3/c19-11-2-1-3-13(6-11)24-17(26)14(16(22)25)9-23(18(24)27)8-10-4-5-12(21)7-15(10)20/h1-7,9H,8H2,(H2,22,25).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide?
1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 408.22 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 142894565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).