N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide

C11H16ClNO3 — CID 106306849

IUPACN-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCOCCCl)co1
InChIInChI=1S/C11H16ClNO3/c1-9-7-10(8-16-9)11(14)13-4-2-5-15-6-3-12/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyOKTGGUAZCYPQQZ-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.96
Rot. Bonds7

About N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide

N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide (PubChem CID 106306849) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide
PubChem CID106306849
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC NameN-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCOCCCl)co1
InChIInChI=1S/C11H16ClNO3/c1-9-7-10(8-16-9)11(14)13-4-2-5-15-6-3-12/h7-8H,2-6H2,1H3,(H,13,14)
InChIKeyOKTGGUAZCYPQQZ-UHFFFAOYSA-N
XLogP1.96
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-N-[3-(methylamino)propyl]furan-3-carboxamide
CID 114819329
N-[3-(2-chloroethoxy)propyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106306919
3-bromo-N-[3-(2-chloroethoxy)propyl]-5-methylbenzamide
CID 114171378
N-(5-hydroxypentyl)-5-methylfuran-3-carboxamide
CID 107319220
N-[3-(2-chloroethoxy)propyl]-2,6-dimethylbenzamide
CID 114171364
N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
CID 3150911
2-methyl-5-[(5-methylfuran-3-carbonyl)amino]pentanoic acid
CID 114819196
N-[3-(2-chloroethoxy)propyl]-1,3-dimethylpyrazole-4-carboxamide
CID 106306554
N-[3-(2-chloroethoxy)propyl]-3-propan-2-yloxybenzamide
CID 106307036
N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521
N-[3-(2-chloroethoxy)propyl]-4-fluoro-2-methylbenzamide
CID 114171292
N-(2-cyanoethyl)-5-methylfuran-3-carboxamide
CID 114820618

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide?
The IUPAC name of N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide (CID 106306849) is N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide.
What is the SMILES notation for N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide?
The canonical SMILES for N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide is Cc1cc(C(=O)NCCCOCCCl)co1.
What is the InChIKey of N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide?
The InChIKey is OKTGGUAZCYPQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO3/c1-9-7-10(8-16-9)11(14)13-4-2-5-15-6-3-12/h7-8H,2-6H2,1H3,(H,13,14).
What are the key properties of N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide?
N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide has a molecular weight of 245.71 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloroethoxy)propyl]-5-methylfuran-3-carboxamide is sourced from PubChem (CID 106306849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).