N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide

C11H16ClNO2 — CID 106685395

IUPACN-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H16ClNO2/c1-4-8(3)13(5-2)11(14)9-6-7-15-10(9)12/h6-8H,4-5H2,1-3H3
InChIKeyYLXKGGZRJCAGDQ-UHFFFAOYSA-N
MW229.71 g/mol
LogP3.19
Rot. Bonds4

About N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide

N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide (PubChem CID 106685395) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide
PubChem CID106685395
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC NameN-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide
SMILESCCC(C)N(CC)C(=O)c1ccoc1Cl
InChIInChI=1S/C11H16ClNO2/c1-4-8(3)13(5-2)11(14)9-6-7-15-10(9)12/h6-8H,4-5H2,1-3H3
InChIKeyYLXKGGZRJCAGDQ-UHFFFAOYSA-N
XLogP3.19
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-ethyl-N-methylfuran-3-carboxamide
CID 106685381
2-chloro-N-(2-cyanoethyl)-N-propan-2-ylfuran-3-carboxamide
CID 106684802
2-chloro-N-ethyl-N-(2-methylprop-2-enyl)furan-3-carboxamide
CID 106685319
2-chloro-N-ethyl-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686648
2-chloro-N-(3-methyl-2-oxobutyl)furan-3-carboxamide
CID 106685015
2-amino-N-butan-2-yl-N-ethylbenzamide
CID 43274061
3-[butan-2-yl(ethyl)carbamoyl]-4-chlorobenzenesulfonyl chloride
CID 65370343
5-bromo-N-butan-2-yl-2-chloro-N-ethylpyridine-3-carboxamide
CID 62000620
N-butan-2-yl-5-chloro-N-ethyl-2-hydrazinylbenzamide
CID 62241178
2-chloro-N-ethyl-N-(2-methylphenyl)furan-3-carboxamide
CID 106685239
N-butan-2-yl-6-chloro-N-ethylpyridine-3-carboxamide
CID 43274567
2-chloro-N-ethyl-N-(thiophen-2-ylmethyl)furan-3-carboxamide
CID 106686239

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide?
The IUPAC name of N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide (CID 106685395) is N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide is CCC(C)N(CC)C(=O)c1ccoc1Cl.
What is the InChIKey of N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide?
The InChIKey is YLXKGGZRJCAGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2/c1-4-8(3)13(5-2)11(14)9-6-7-15-10(9)12/h6-8H,4-5H2,1-3H3.
What are the key properties of N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide?
N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-chloro-N-ethylfuran-3-carboxamide is sourced from PubChem (CID 106685395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).