N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride

C10H10ClNO2 — CID 115194555

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C10H10ClNO2/c1-12(10(11)13)8-2-3-9-7(6-8)4-5-14-9/h2-3,6H,4-5H2,1H3
InChIKeySDGSGEOBWFINQT-UHFFFAOYSA-N
MW211.65 g/mol
LogP2.42
Rot. Bonds1

About N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride (PubChem CID 115194555) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
PubChem CID115194555
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride
SMILESCN(C(=O)Cl)c1ccc2c(c1)CCO2
InChIInChI=1S/C10H10ClNO2/c1-12(10(11)13)8-2-3-9-7(6-8)4-5-14-9/h2-3,6H,4-5H2,1H3
InChIKeySDGSGEOBWFINQT-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-1-methylurea
CID 115192561
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylhydroxylamine
CID 145016330
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcyclobutane-1-carboxamide
CID 115161446
N-(2,3-dihydro-1H-inden-5-yl)-N-methylcarbamoyl chloride
CID 115194463
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylpiperazine-1-carboxamide
CID 115171539
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylbenzamide
CID 115160758
2-[3,4-dihydro-2H-chromen-6-yl(methyl)amino]-2-oxoacetic acid
CID 115141251
3-amino-4-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-4-oxobutanoic acid
CID 115181283
methyl 2-[2,3-dihydro-1-benzofuran-5-yl(methyl)amino]-2-methylpropanoate
CID 115128392
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178677
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-N,4-dimethylmorpholine-2-carboxamide
CID 97226830

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride (CID 115194555) is N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride is CN(C(=O)Cl)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride?
The InChIKey is SDGSGEOBWFINQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-12(10(11)13)8-2-3-9-7(6-8)4-5-14-9/h2-3,6H,4-5H2,1H3.
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride?
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride has a molecular weight of 211.65 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-N-methylcarbamoyl chloride is sourced from PubChem (CID 115194555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).