N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide

C14H16ClNO2 — CID 110488755

IUPACN-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
SMILESCCC(C)NC(=O)Cc1coc2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO2/c1-3-9(2)16-14(17)6-10-8-18-13-5-4-11(15)7-12(10)13/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyXQTUPLPXVJAHHR-UHFFFAOYSA-N
MW265.74 g/mol
LogP3.54
Rot. Bonds4

About N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide

N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide (PubChem CID 110488755) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
PubChem CID110488755
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC NameN-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide
SMILESCCC(C)NC(=O)Cc1coc2ccc(Cl)cc12
InChIInChI=1S/C14H16ClNO2/c1-3-9(2)16-14(17)6-10-8-18-13-5-4-11(15)7-12(10)13/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyXQTUPLPXVJAHHR-UHFFFAOYSA-N
XLogP3.54
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-butan-2-yl]-2-(5-chloro-6-methyl-1-benzofuran-3-yl)acetamide
CID 7393915
2-(5-chloro-1-benzofuran-3-yl)acetate
CID 9158984
2-(5-methyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18872376
2-(5-chloro-1-benzofuran-3-yl)-N-(3,4-dimethylphenyl)acetamide
CID 18860311
2-(5-chloro-1-benzofuran-3-yl)-N-naphthalen-1-ylacetamide
CID 18860319
2-(5-chloro-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 18860950
(5-chloro-1-benzofuran-3-yl)methanol
CID 3757833
N-[(5-chloro-1-benzofuran-3-yl)methyl]cyclobutanamine
CID 117174185
5-chloro-3-(propan-2-ylsulfanylmethyl)-1-benzofuran
CID 117174348
2-(6-ethyl-1-benzofuran-3-yl)-N-propan-2-ylacetamide
CID 18107939
N-[(2R)-butan-2-yl]-2-(3,4-dichlorophenyl)acetamide
CID 94336012
N'-[2-(2,4-dichlorophenoxy)acetyl]-2-(5-methyl-1-benzofuran-3-yl)acetohydrazide
CID 18872423

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide?
The IUPAC name of N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide (CID 110488755) is N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide?
The canonical SMILES for N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide is CCC(C)NC(=O)Cc1coc2ccc(Cl)cc12.
What is the InChIKey of N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide?
The InChIKey is XQTUPLPXVJAHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c1-3-9(2)16-14(17)6-10-8-18-13-5-4-11(15)7-12(10)13/h4-5,7-9H,3,6H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide?
N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide has a molecular weight of 265.74 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(5-chloro-1-benzofuran-3-yl)acetamide is sourced from PubChem (CID 110488755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).