N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

C18H21ClN2O4 — CID 121133272

IUPACN'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCc1cc(C(O)CCNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C18H21ClN2O4/c1-11-9-15(12(2)25-11)16(22)7-8-20-17(23)18(24)21-10-13-3-5-14(19)6-4-13/h3-6,9,16,22H,7-8,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQIQFWPCABQAZFD-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.41
Rot. Bonds6

About N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide

N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (PubChem CID 121133272) has the molecular formula C18H21ClN2O4 and a molecular weight of 364.83 g/mol. Its IUPAC name is N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
PubChem CID121133272
Molecular FormulaC18H21ClN2O4
Molecular Weight364.83 g/mol
Exact Mass364.12
IUPAC NameN'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide
SMILESCc1cc(C(O)CCNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C18H21ClN2O4/c1-11-9-15(12(2)25-11)16(22)7-8-20-17(23)18(24)21-10-13-3-5-14(19)6-4-13/h3-6,9,16,22H,7-8,10H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyQIQFWPCABQAZFD-UHFFFAOYSA-N
XLogP2.41
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide (CID 121133272) is N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is Cc1cc(C(O)CCNC(=O)C(=O)NCc2ccc(Cl)cc2)c(C)o1.
What is the InChIKey of N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
The InChIKey is QIQFWPCABQAZFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4/c1-11-9-15(12(2)25-11)16(22)7-8-20-17(23)18(24)21-10-13-3-5-14(19)6-4-13/h3-6,9,16,22H,7-8,10H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide?
N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide has a molecular weight of 364.83 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-chlorophenyl)methyl]-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 121133272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).