N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

C19H22ClN3O3 — CID 60573556

IUPACN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c1=O
InChIInChI=1S/C19H22ClN3O3/c1-22-17(25)8-11-23(18(22)26)12-16(24)21-13-19(9-2-3-10-19)14-4-6-15(20)7-5-14/h4-8,11H,2-3,9-10,12-13H2,1H3,(H,21,24)
InChIKeyMBJYHXHFPLYADC-UHFFFAOYSA-N
MW375.86 g/mol
LogP1.83
Rot. Bonds5

About N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide

N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (PubChem CID 60573556) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
PubChem CID60573556
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC NameN-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
SMILESCn1c(=O)ccn(CC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c1=O
InChIInChI=1S/C19H22ClN3O3/c1-22-17(25)8-11-23(18(22)26)12-16(24)21-13-19(9-2-3-10-19)14-4-6-15(20)7-5-14/h4-8,11H,2-3,9-10,12-13H2,1H3,(H,21,24)
InChIKeyMBJYHXHFPLYADC-UHFFFAOYSA-N
XLogP1.83
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide with MolForge

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Related Compounds

N-[2-(4-chlorophenyl)-2-ethylbutyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60621687
2-chloro-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]acetamide
CID 166404207
2-(3-methyl-2,4-dioxopyrimidin-1-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102914909
2-(4-chlorophenyl)-2-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]butanoic acid
CID 120977685
2,2-dimethyl-3-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 81368356
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
1-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119315664
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
N-[(1S,3S)-3-methylcyclohexyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 32568404
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(6-oxo-1H-pyridin-3-yl)acetamide
CID 122154894
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
N-(1,1-dioxothiolan-3-yl)-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 71896773

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide (CID 60573556) is N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is Cn1c(=O)ccn(CC(=O)NCC2(c3ccc(Cl)cc3)CCCC2)c1=O.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
The InChIKey is MBJYHXHFPLYADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-22-17(25)8-11-23(18(22)26)12-16(24)21-13-19(9-2-3-10-19)14-4-6-15(20)7-5-14/h4-8,11H,2-3,9-10,12-13H2,1H3,(H,21,24).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide?
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide has a molecular weight of 375.86 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopentyl]methyl]-2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetamide is sourced from PubChem (CID 60573556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).