4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide

C15H16ClN3O4 — CID 110171525

IUPAC4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4/c1-9-13(14(21)19-15(22)17-9)18-12(20)3-2-8-23-11-6-4-10(16)5-7-11/h4-7H,2-3,8H2,1H3,(H,18,20)(H2,17,19,21,22)
InChIKeyGQPDWYBTSQVYON-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.82
Rot. Bonds6

About 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide

4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide (PubChem CID 110171525) has the molecular formula C15H16ClN3O4 and a molecular weight of 337.76 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide
PubChem CID110171525
Molecular FormulaC15H16ClN3O4
Molecular Weight337.76 g/mol
Exact Mass337.08
IUPAC Name4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN3O4/c1-9-13(14(21)19-15(22)17-9)18-12(20)3-2-8-23-11-6-4-10(16)5-7-11/h4-7H,2-3,8H2,1H3,(H,18,20)(H2,17,19,21,22)
InChIKeyGQPDWYBTSQVYON-UHFFFAOYSA-N
XLogP1.82
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-chlorophenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 7790413
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
CID 43399152
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
N-(5-chloro-2-fluorophenyl)-4-(4-fluorophenoxy)butanamide
CID 46535270
N-(2-bromo-4-ethylphenyl)-4-(4-chlorophenoxy)butanamide
CID 53268050
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099
N-(5-chloro-2-pyridinyl)-4-(4-methoxyphenoxy)butanamide
CID 34134941
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
N-(2,4-dichlorophenyl)-4-(4-ethylphenoxy)butanamide
CID 19176294
N-(2,6-diethylphenyl)-4-(4-ethylphenoxy)butanamide
CID 19174107
4-(4-chlorophenoxy)-N-(2-ethylsulfanylphenyl)butanamide
CID 46778135

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide (CID 110171525) is 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide is Cc1[nH]c(=O)[nH]c(=O)c1NC(=O)CCCOc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide?
The InChIKey is GQPDWYBTSQVYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O4/c1-9-13(14(21)19-15(22)17-9)18-12(20)3-2-8-23-11-6-4-10(16)5-7-11/h4-7H,2-3,8H2,1H3,(H,18,20)(H2,17,19,21,22).
What are the key properties of 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide?
4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide has a molecular weight of 337.76 g/mol, XLogP of 1.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide is sourced from PubChem (CID 110171525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).