5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide

C11H16ClNO3 — CID 107199927

IUPAC5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H16ClNO3/c1-13(7-3-2-4-8-14)11(15)9-5-6-10(12)16-9/h5-6,14H,2-4,7-8H2,1H3
InChIKeyGCRGPPOGWIEJSS-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.17
Rot. Bonds6

About 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide

5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide (PubChem CID 107199927) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
PubChem CID107199927
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
SMILESCN(CCCCCO)C(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H16ClNO3/c1-13(7-3-2-4-8-14)11(15)9-5-6-10(12)16-9/h5-6,14H,2-4,7-8H2,1H3
InChIKeyGCRGPPOGWIEJSS-UHFFFAOYSA-N
XLogP2.17
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.17
H-Bond Donors ≤ 51
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-methyl-N-(2-methylsulfanylethyl)furan-2-carboxamide
CID 103747395
5-chloro-N-methyl-N-(2-phenylethyl)furan-2-carboxamide
CID 103612110
5-chloro-N-(2-cyanoethyl)-N-methylfuran-2-carboxamide
CID 51075676
2-[(5-chlorofuran-2-carbonyl)-methylamino]acetic acid
CID 28790003
N-(5-aminopentyl)-N,5-dimethylfuran-2-carboxamide
CID 107206681
5-chloro-N-[(3,4-dichlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 103601901
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
2-(3,4-dichlorophenyl)-N-(5-hydroxypentyl)-N-methylacetamide
CID 107202302
5-[5-hydroxypentyl(methyl)carbamoyl]furan-3-carboxylic acid
CID 107201888
5-chloro-N-methyl-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 103601880

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide (CID 107199927) is 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide is CN(CCCCCO)C(=O)c1ccc(Cl)o1.
What is the InChIKey of 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide?
The InChIKey is GCRGPPOGWIEJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-13(7-3-2-4-8-14)11(15)9-5-6-10(12)16-9/h5-6,14H,2-4,7-8H2,1H3.
What are the key properties of 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide?
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide has a molecular weight of 245.71 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 107199927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).