N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide

C17H16ClN3O3 — CID 46321883

IUPACN-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1oc2ncnc(OCC(=O)NCc3cccc(Cl)c3)c2c1C
InChIInChI=1S/C17H16ClN3O3/c1-10-11(2)24-17-15(10)16(20-9-21-17)23-8-14(22)19-7-12-4-3-5-13(18)6-12/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyRBGICTMGKWAKMO-UHFFFAOYSA-N
MW345.79 g/mol
LogP3.19
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide

N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide (PubChem CID 46321883) has the molecular formula C17H16ClN3O3 and a molecular weight of 345.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide
PubChem CID46321883
Molecular FormulaC17H16ClN3O3
Molecular Weight345.79 g/mol
Exact Mass345.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide
SMILESCc1oc2ncnc(OCC(=O)NCc3cccc(Cl)c3)c2c1C
InChIInChI=1S/C17H16ClN3O3/c1-10-11(2)24-17-15(10)16(20-9-21-17)23-8-14(22)19-7-12-4-3-5-13(18)6-12/h3-6,9H,7-8H2,1-2H3,(H,19,22)
InChIKeyRBGICTMGKWAKMO-UHFFFAOYSA-N
XLogP3.19
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 46321916
2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(2-ethoxyphenyl)methyl]acetamide
CID 46321973
N-[(3-chlorophenyl)methyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
CID 4641621
2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetic acid
CID 46257774
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[(3-chlorophenyl)methyl]-2-(2,6-dimethoxyphenoxy)acetamide
CID 51142104
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
2-(2-ethyl-5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxy-N-[(4-methylphenyl)methyl]acetamide
CID 46322035
N-[(4-chlorophenyl)methyl]-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxyacetamide
CID 2484160
N-[(3-chlorophenyl)methyl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 51073119

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide (CID 46321883) is N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide is Cc1oc2ncnc(OCC(=O)NCc3cccc(Cl)c3)c2c1C.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide?
The InChIKey is RBGICTMGKWAKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O3/c1-10-11(2)24-17-15(10)16(20-9-21-17)23-8-14(22)19-7-12-4-3-5-13(18)6-12/h3-6,9H,7-8H2,1-2H3,(H,19,22).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide?
N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide has a molecular weight of 345.79 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(5,6-dimethylfuro[2,3-d]pyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 46321883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).