N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide

C12H18ClNO3 — CID 114298846

IUPACN-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCOCC(Cl)CNC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C12H18ClNO3/c1-7-8(2)17-9(3)11(7)12(15)14-5-10(13)6-16-4/h10H,5-6H2,1-4H3,(H,14,15)
InChIKeyYVANODNGCQGOCB-UHFFFAOYSA-N
MW259.73 g/mol
LogP2.19
Rot. Bonds5

About N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide

N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 114298846) has the molecular formula C12H18ClNO3 and a molecular weight of 259.73 g/mol. Its IUPAC name is N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID114298846
Molecular FormulaC12H18ClNO3
Molecular Weight259.73 g/mol
Exact Mass259.10
IUPAC NameN-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCOCC(Cl)CNC(=O)c1c(C)oc(C)c1C
InChIInChI=1S/C12H18ClNO3/c1-7-8(2)17-9(3)11(7)12(15)14-5-10(13)6-16-4/h10H,5-6H2,1-4H3,(H,14,15)
InChIKeyYVANODNGCQGOCB-UHFFFAOYSA-N
XLogP2.19
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 106689982
3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 103153260
5-bromo-N-(2-chloro-3-methoxypropyl)furan-2-carboxamide
CID 114298680
N-(2-chloroethyl)-N-(2-methoxyethyl)-2,4,5-trimethylfuran-3-carboxamide
CID 113468246
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
4-chloro-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298950
3-bromo-N-(2-chloro-3-methoxypropyl)-2-methylbenzamide
CID 114298695
N-(2-chloro-3-methoxypropyl)thiophene-3-carboxamide
CID 114298911
N-(2-chloro-3-methoxypropyl)-2-fluorobenzamide
CID 114298974
2-bromo-N-(2-chloro-3-methoxypropyl)benzamide
CID 114298631
5-bromo-N-(2-chloro-3-methoxypropyl)thiophene-2-carboxamide
CID 114298739
N-(2-chloro-3-methoxypropyl)-2-methylpentanamide
CID 114298733

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide?
The IUPAC name of N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide (CID 114298846) is N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide is COCC(Cl)CNC(=O)c1c(C)oc(C)c1C.
What is the InChIKey of N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide?
The InChIKey is YVANODNGCQGOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO3/c1-7-8(2)17-9(3)11(7)12(15)14-5-10(13)6-16-4/h10H,5-6H2,1-4H3,(H,14,15).
What are the key properties of N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 259.73 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxypropyl)-2,4,5-trimethylfuran-3-carboxamide is sourced from PubChem (CID 114298846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).