2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide

C14H16ClNO2 — CID 146085900

IUPAC2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
SMILESO=C(CCl)N(CC1Cc2ccccc2O1)C1CC1
InChIInChI=1S/C14H16ClNO2/c15-8-14(17)16(11-5-6-11)9-12-7-10-3-1-2-4-13(10)18-12/h1-4,11-12H,5-9H2
InChIKeySHQAJGAOCZXMKB-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.22
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide

2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide (PubChem CID 146085900) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
PubChem CID146085900
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Name2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide
SMILESO=C(CCl)N(CC1Cc2ccccc2O1)C1CC1
InChIInChI=1S/C14H16ClNO2/c15-8-14(17)16(11-5-6-11)9-12-7-10-3-1-2-4-13(10)18-12/h1-4,11-12H,5-9H2
InChIKeySHQAJGAOCZXMKB-UHFFFAOYSA-N
XLogP2.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[cyclopropyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]acetate
CID 63663084
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296
2-chloro-1-(2,3-dihydro-1-benzofuran-2-yl)ethanone
CID 45080935
1-(2,3-dihydro-1-benzofuran-2-yl)-N,N-dimethylmethanamine
CID 2842479
2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
CID 102676518
methyl 3-[2,3-dihydro-1-benzofuran-2-ylmethyl(methyl)amino]propanoate
CID 66364601
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63391507
2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
CID 66363280
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylpyrrolidin-3-amine
CID 66364981
3-[2,3-dihydro-1-benzofuran-2-ylmethyl(propan-2-yl)amino]propanoic acid
CID 66364191
1-(4-chlorocyclohexyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)methanamine
CID 114146466

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide (CID 146085900) is 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide is O=C(CCl)N(CC1Cc2ccccc2O1)C1CC1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide?
The InChIKey is SHQAJGAOCZXMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO2/c15-8-14(17)16(11-5-6-11)9-12-7-10-3-1-2-4-13(10)18-12/h1-4,11-12H,5-9H2.
What are the key properties of 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide?
2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide has a molecular weight of 265.74 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)acetamide is sourced from PubChem (CID 146085900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).