N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C20H18ClN3O4 — CID 84549660

IUPACN-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C20H18ClN3O4/c1-23-11-17(19(26)24(2)20(23)27)18(25)22-15-7-9-16(10-8-15)28-12-13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyQUKPFEGTVHAIFA-UHFFFAOYSA-N
MW399.83 g/mol
LogP2.57
Rot. Bonds5

About N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84549660) has the molecular formula C20H18ClN3O4 and a molecular weight of 399.83 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84549660
Molecular FormulaC20H18ClN3O4
Molecular Weight399.83 g/mol
Exact Mass399.10
IUPAC NameN-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C20H18ClN3O4/c1-23-11-17(19(26)24(2)20(23)27)18(25)22-15-7-9-16(10-8-15)28-12-13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,25)
InChIKeyQUKPFEGTVHAIFA-UHFFFAOYSA-N
XLogP2.57
TPSA82.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.83
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550021
N-(3-chlorophenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550042
N-[4-[(4-chlorophenyl)methoxy]phenyl]-6-(propan-2-ylamino)pyridazine-3-carboxamide
CID 109109575
N'-tert-butyl-N-[4-[(4-chlorophenyl)methoxy]phenyl]oxamide
CID 108986374
(2S)-2-amino-N-[4-[(4-chlorophenyl)methoxy]phenyl]propanamide
CID 22690589
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-propylurea
CID 108987803
N'-[4-[(4-chlorophenyl)methoxy]phenyl]-N-cyclopropylpropanediamide
CID 108941138
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(N-methylanilino)acetamide
CID 109007233
2-[4-[(4-chlorophenyl)methoxy]anilino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653963
N-[4-[(4-chlorophenyl)methoxy]phenyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247631
1-[4-[(4-chlorophenyl)methoxy]phenyl]-3-cyclopentylurea
CID 108987888
4-[(4-chlorophenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406514

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 84549660) is N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is Cn1cc(C(=O)Nc2ccc(OCc3ccc(Cl)cc3)cc2)c(=O)n(C)c1=O.
What is the InChIKey of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is QUKPFEGTVHAIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O4/c1-23-11-17(19(26)24(2)20(23)27)18(25)22-15-7-9-16(10-8-15)28-12-13-3-5-14(21)6-4-13/h3-11H,12H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 399.83 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84549660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).