N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide

C13H20ClNO2 — CID 106287191

IUPACN-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1coc(C)c1
InChIInChI=1S/C13H20ClNO2/c1-4-10(5-2)12(14)7-15-13(16)11-6-9(3)17-8-11/h6,8,10,12H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyBLOKGQSVJVFNRK-UHFFFAOYSA-N
MW257.76 g/mol
LogP3.36
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide

N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide (PubChem CID 106287191) has the molecular formula C13H20ClNO2 and a molecular weight of 257.76 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide
PubChem CID106287191
Molecular FormulaC13H20ClNO2
Molecular Weight257.76 g/mol
Exact Mass257.12
IUPAC NameN-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)c1coc(C)c1
InChIInChI=1S/C13H20ClNO2/c1-4-10(5-2)12(14)7-15-13(16)11-6-9(3)17-8-11/h6,8,10,12H,4-5,7H2,1-3H3,(H,15,16)
InChIKeyBLOKGQSVJVFNRK-UHFFFAOYSA-N
XLogP3.36
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.76
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dihydroxypropyl)-5-methylfuran-3-carboxamide
CID 114821790
N-(2-chloro-3-ethylpentyl)-3-hydroxybenzamide
CID 114168739
3-chloro-N-(2-chloro-3-ethylpentyl)-4-hydroxybenzamide
CID 106287730
N-(3-amino-2,2-dimethylpropyl)-5-methylfuran-3-carboxamide
CID 114818535
N-(2-chloro-3-ethylpentyl)thiophene-3-carboxamide
CID 106287256
4-chloro-N-(2-chloro-3-ethylpentyl)-2-methylbenzamide
CID 106287678
(2S)-2-[(5-methylfuran-3-carbonyl)amino]butanoic acid
CID 104978924
N-(2-ethyl-2-hydroxybutyl)-5-methylfuran-3-carboxamide
CID 114821770
5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
N-(2-bromoprop-2-enyl)-5-methylfuran-3-carboxamide
CID 114821704
5-bromo-2-chloro-N-(2-chloro-3-ethylpentyl)benzamide
CID 106287321
N-[[4-(chloromethyl)phenyl]methyl]-5-methylfuran-3-carboxamide
CID 107233315

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide (CID 106287191) is N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide is CCC(CC)C(Cl)CNC(=O)c1coc(C)c1.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide?
The InChIKey is BLOKGQSVJVFNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO2/c1-4-10(5-2)12(14)7-15-13(16)11-6-9(3)17-8-11/h6,8,10,12H,4-5,7H2,1-3H3,(H,15,16).
What are the key properties of N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide?
N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide has a molecular weight of 257.76 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)-5-methylfuran-3-carboxamide is sourced from PubChem (CID 106287191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).