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

C18H17ClN4O3 — CID 38671249

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c(Cl)c1
InChIInChI=1S/C18H17ClN4O3/c1-10-5-11(2)16(14(19)6-10)21-15(24)9-23-17(25)12(7-20)8-22(18(23)26)13-3-4-13/h5-6,8,13H,3-4,9H2,1-2H3,(H,21,24)
InChIKeyRDNQWBHREKKCGE-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.13
Rot. Bonds4

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

N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide (PubChem CID 38671249) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide
PubChem CID38671249
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c(Cl)c1
InChIInChI=1S/C18H17ClN4O3/c1-10-5-11(2)16(14(19)6-10)21-15(24)9-23-17(25)12(7-20)8-22(18(23)26)13-3-4-13/h5-6,8,13H,3-4,9H2,1-2H3,(H,21,24)
InChIKeyRDNQWBHREKKCGE-UHFFFAOYSA-N
XLogP2.13
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide with MolForge

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Related Compounds

ethyl 4-(2-chlorophenyl)-2-[[2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 38670882
3-[2-[1-(3-chloro-4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 25332957
N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)acetamide
CID 8538150
N'-(2-chloro-4,6-dimethylphenyl)-N-(2-cyanophenyl)propanediamide
CID 108955380
N-(2-chloro-4,6-dimethylphenyl)-2-(3,7-dibutyl-2,6-dioxopurin-1-yl)acetamide
CID 24572591
3-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 51077179
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 8583041
N-(2-chloro-4,6-dimethylphenyl)-2-(5-nitro-2-oxo-1-pyridinyl)acetamide
CID 7890150
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-chloro-4,6-dimethylphenyl)-2-[(2S)-2-methylpiperazin-1-yl]acetamide
CID 82704766
N-(2-acetylphenyl)-4-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)butanamide
CID 55753590
1-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 82026146

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide (CID 38671249) is N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide is Cc1cc(C)c(NC(=O)Cn2c(=O)c(C#N)cn(C3CC3)c2=O)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide?
The InChIKey is RDNQWBHREKKCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-10-5-11(2)16(14(19)6-10)21-15(24)9-23-17(25)12(7-20)8-22(18(23)26)13-3-4-13/h5-6,8,13H,3-4,9H2,1-2H3,(H,21,24).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide has a molecular weight of 372.81 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-(5-cyano-3-cyclopropyl-2,6-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 38671249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).