N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide

C16H14ClN3O3 — CID 53024029

IUPACN-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1oc2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1C
InChIInChI=1S/C16H14ClN3O3/c1-9-10(2)23-15-14(9)16(22)20(8-18-15)7-13(21)19-12-5-3-11(17)4-6-12/h3-6,8H,7H2,1-2H3,(H,19,21)
InChIKeyABXLGSPPPNFVED-UHFFFAOYSA-N
MW331.76 g/mol
LogP2.90
Rot. Bonds3

About N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide

N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide (PubChem CID 53024029) has the molecular formula C16H14ClN3O3 and a molecular weight of 331.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide
PubChem CID53024029
Molecular FormulaC16H14ClN3O3
Molecular Weight331.76 g/mol
Exact Mass331.07
IUPAC NameN-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide
SMILESCc1oc2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1C
InChIInChI=1S/C16H14ClN3O3/c1-9-10(2)23-15-14(9)16(22)20(8-18-15)7-13(21)19-12-5-3-11(17)4-6-12/h3-6,8H,7H2,1-2H3,(H,19,21)
InChIKeyABXLGSPPPNFVED-UHFFFAOYSA-N
XLogP2.90
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 53024200
N-(5-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024146
N-(4-chloro-2-methylphenyl)-3-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)propanamide
CID 53024145
ethyl 3-[2-(4-methoxyanilino)-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8651463
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-(furan-2-ylmethyl)acetamide
CID 53023985
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2R)-2-phenylpropyl]acetamide
CID 93053068
N-(4-tert-butylphenyl)-2-[5-(4-chlorophenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
CID 40903564
2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 53024095
ethyl 3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl]-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylate
CID 8652593
N-(4-chlorophenyl)-2-(4-oxothieno[3,2-d]pyrimidin-3-yl)acetamide
CID 27065113
3-[(2-chlorophenyl)methyl]-5,6-dimethylfuro[2,3-d]pyrimidin-4-one
CID 53004401
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-(4-chlorophenyl)acetamide
CID 3245361

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide (CID 53024029) is N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide is Cc1oc2ncn(CC(=O)Nc3ccc(Cl)cc3)c(=O)c2c1C.
What is the InChIKey of N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide?
The InChIKey is ABXLGSPPPNFVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O3/c1-9-10(2)23-15-14(9)16(22)20(8-18-15)7-13(21)19-12-5-3-11(17)4-6-12/h3-6,8H,7H2,1-2H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide?
N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide has a molecular weight of 331.76 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetamide is sourced from PubChem (CID 53024029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).