2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide

C18H16ClN3O4 — CID 50755514

IUPAC2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)NCc1ccco1
InChIInChI=1S/C18H16ClN3O4/c19-15-6-2-1-4-13(15)11-21-8-7-17(24)22(18(21)25)12-16(23)20-10-14-5-3-9-26-14/h1-9H,10-12H2,(H,20,23)
InChIKeyVJTNMZCHQWWAKO-UHFFFAOYSA-N
MW373.80 g/mol
LogP1.62
Rot. Bonds6

About 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 50755514) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID50755514
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)NCc1ccco1
InChIInChI=1S/C18H16ClN3O4/c19-15-6-2-1-4-13(15)11-21-8-7-17(24)22(18(21)25)12-16(23)20-10-14-5-3-9-26-14/h1-9H,10-12H2,(H,20,23)
InChIKeyVJTNMZCHQWWAKO-UHFFFAOYSA-N
XLogP1.62
TPSA86.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114
2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(3,5-difluorophenyl)acetamide
CID 50755440
N-[(2-chlorophenyl)methyl]-2-(furan-2-ylmethylamino)acetamide
CID 54818991
2-(2-chlorophenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 24550973
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxo-[1]benzothiolo[3,2-d]pyrimidin-1-yl]acetamide
CID 20875616
N-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethylamino)propanamide
CID 109018586
2-[(2-chlorophenyl)methylsulfonylamino]-N-(furan-2-ylmethyl)acetamide
CID 22299375
2-[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 47529832
2-(2,6-dichlorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2082030
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
N-[(2-chlorophenyl)methyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzamide
CID 9165300
2-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 9434241

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 50755514) is 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide is O=C(Cn1c(=O)ccn(Cc2ccccc2Cl)c1=O)NCc1ccco1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is VJTNMZCHQWWAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c19-15-6-2-1-4-13(15)11-21-8-7-17(24)22(18(21)25)12-16(23)20-10-14-5-3-9-26-14/h1-9H,10-12H2,(H,20,23).
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 373.80 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-2,6-dioxopyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 50755514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).