N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide

C16H15ClN4O4 — CID 33398940

IUPACN-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O
InChIInChI=1S/C16H15ClN4O4/c1-3-20-8-10(7-18)15(23)21(16(20)24)9-14(22)19-11-4-5-13(25-2)12(17)6-11/h4-6,8H,3,9H2,1-2H3,(H,19,22)
InChIKeyZCAJHHNUBLKPNC-UHFFFAOYSA-N
MW362.77 g/mol
LogP1.20
Rot. Bonds5

About N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide

N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide (PubChem CID 33398940) has the molecular formula C16H15ClN4O4 and a molecular weight of 362.77 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
PubChem CID33398940
Molecular FormulaC16H15ClN4O4
Molecular Weight362.77 g/mol
Exact Mass362.08
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESCCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O
InChIInChI=1S/C16H15ClN4O4/c1-3-20-8-10(7-18)15(23)21(16(20)24)9-14(22)19-11-4-5-13(25-2)12(17)6-11/h4-6,8H,3,9H2,1-2H3,(H,19,22)
InChIKeyZCAJHHNUBLKPNC-UHFFFAOYSA-N
XLogP1.20
TPSA106.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 33399213
N-(3-chloro-4-methoxyphenyl)-2-(1,3-diethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111763
N-(3-chloro-4-methoxyphenyl)-2-(2,5-dimethylpyrrol-1-yl)acetamide
CID 4571026
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
N'-(3-chloro-4-methoxyphenyl)-N-(4-cyanophenyl)propanediamide
CID 108955433
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 39020331
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 87019238
N-(3-chloro-4-methoxyphenyl)-2-(4-cyanoanilino)acetamide
CID 26437475
2-(5-amino-2-oxo-1-pyridinyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 62814950
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-(3-chloro-4-methoxyphenyl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 2959650
N-(3-chloro-4-methoxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47779782

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide (CID 33398940) is N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide is CCn1cc(C#N)c(=O)n(CC(=O)Nc2ccc(OC)c(Cl)c2)c1=O.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide?
The InChIKey is ZCAJHHNUBLKPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O4/c1-3-20-8-10(7-18)15(23)21(16(20)24)9-14(22)19-11-4-5-13(25-2)12(17)6-11/h4-6,8H,3,9H2,1-2H3,(H,19,22).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide?
N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide has a molecular weight of 362.77 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-(5-cyano-3-ethyl-2,6-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 33398940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).