2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide

C17H20ClN3O3 — CID 42883929

IUPAC2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H20ClN3O3/c1-11(16(22)20-17(23)19-2)21(3)10-14-8-9-15(24-14)12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H2,19,20,22,23)
InChIKeyIGLJXZGDDNGQGP-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.88
Rot. Bonds5

About 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide

2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide (PubChem CID 42883929) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide
PubChem CID42883929
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H20ClN3O3/c1-11(16(22)20-17(23)19-2)21(3)10-14-8-9-15(24-14)12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H2,19,20,22,23)
InChIKeyIGLJXZGDDNGQGP-UHFFFAOYSA-N
XLogP2.88
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide (CID 42883929) is 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide?
The InChIKey is IGLJXZGDDNGQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-11(16(22)20-17(23)19-2)21(3)10-14-8-9-15(24-14)12-4-6-13(18)7-5-12/h4-9,11H,10H2,1-3H3,(H2,19,20,22,23).
What are the key properties of 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide?
2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide has a molecular weight of 349.82 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 42883929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).