N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide

C17H19ClN2O3 — CID 86986285

IUPACN-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
SMILESCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-2-3-10-19-16(21)13-6-4-12(5-7-13)11-20-17(22)14-8-9-15(18)23-14/h4-9H,2-3,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyBWHMITQUTULMAF-UHFFFAOYSA-N
MW334.80 g/mol
LogP3.39
Rot. Bonds7

About N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide

N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide (PubChem CID 86986285) has the molecular formula C17H19ClN2O3 and a molecular weight of 334.80 g/mol. Its IUPAC name is N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
PubChem CID86986285
Molecular FormulaC17H19ClN2O3
Molecular Weight334.80 g/mol
Exact Mass334.11
IUPAC NameN-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide
SMILESCCCCNC(=O)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1
InChIInChI=1S/C17H19ClN2O3/c1-2-3-10-19-16(21)13-6-4-12(5-7-13)11-20-17(22)14-8-9-15(18)23-14/h4-9H,2-3,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyBWHMITQUTULMAF-UHFFFAOYSA-N
XLogP3.39
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.80
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[[4-(ethylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 86990026
5-bromo-N-[4-[[4-(butylcarbamoyl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 112841943
5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659012
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]furan-2-carboxamide
CID 32755354
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
N-butyl-4-[(cyclopent-3-en-1-ylcarbamoylamino)methyl]benzamide
CID 71919386
5-chloro-N-[2-(ethylamino)ethyl]furan-2-carboxamide;hydrochloride
CID 119508521
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
5-chloro-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]furan-2-carboxamide
CID 33329592
N-butyl-4-[[(N'-methyl-N-propylcarbamimidoyl)amino]methyl]benzamide;hydroiodide
CID 111227694
4-(butylsulfamoyl)-N-[(4-chlorophenyl)methyl]benzamide
CID 109058697
N-[[4-(butylcarbamoyl)phenyl]methyl]-2-oxochromene-3-carboxamide
CID 86986297

Frequently Asked Questions

What is the IUPAC name of N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide?
The IUPAC name of N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide (CID 86986285) is N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide.
What is the SMILES notation for N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide?
The canonical SMILES for N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide is CCCCNC(=O)c1ccc(CNC(=O)c2ccc(Cl)o2)cc1.
What is the InChIKey of N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide?
The InChIKey is BWHMITQUTULMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3/c1-2-3-10-19-16(21)13-6-4-12(5-7-13)11-20-17(22)14-8-9-15(18)23-14/h4-9H,2-3,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide?
N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide has a molecular weight of 334.80 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(butylcarbamoyl)phenyl]methyl]-5-chlorofuran-2-carboxamide is sourced from PubChem (CID 86986285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).