2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide

C12H13ClN2O3 — CID 175550824

IUPAC2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CCl)c2c1CCO2
InChIInChI=1S/C12H13ClN2O3/c1-7-2-3-9(11-8(7)4-5-18-11)14-12(17)15-10(16)6-13/h2-3H,4-6H2,1H3,(H2,14,15,16,17)
InChIKeySPPQZRVMKGULLZ-UHFFFAOYSA-N
MW268.70 g/mol
LogP1.82
Rot. Bonds2

About 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide

2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide (PubChem CID 175550824) has the molecular formula C12H13ClN2O3 and a molecular weight of 268.70 g/mol. Its IUPAC name is 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide
PubChem CID175550824
Molecular FormulaC12H13ClN2O3
Molecular Weight268.70 g/mol
Exact Mass268.06
IUPAC Name2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide
SMILESCc1ccc(NC(=O)NC(=O)CCl)c2c1CCO2
InChIInChI=1S/C12H13ClN2O3/c1-7-2-3-9(11-8(7)4-5-18-11)14-12(17)15-10(16)6-13/h2-3H,4-6H2,1H3,(H2,14,15,16,17)
InChIKeySPPQZRVMKGULLZ-UHFFFAOYSA-N
XLogP1.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.70
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-[(2-chloroacetyl)amino]-3,4-dihydro-2H-chromen-8-yl]carbamate
CID 145492912
2-chloro-N-[(3-chloro-2-methylphenyl)carbamoyl]acetamide
CID 43146029
2-chloro-N-[(2,4-dibromophenyl)carbamoyl]acetamide
CID 61475658
1-(4-chloro-2-methylphenyl)-3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)urea
CID 113217817
2-chloro-N-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]acetamide
CID 43146022
2-chloro-N-[(2,5-diethoxyphenyl)carbamoyl]acetamide
CID 43328839
2-chloro-N-[(2,4,5-trichlorophenyl)carbamoyl]acetamide
CID 43146050
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)carbamoyl]acetamide
CID 102806777
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]acetamide
CID 43145991
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
1-(2,3-dihydro-1-benzofuran-7-yl)-3-propylurea
CID 110874645
2-chloro-N-(phenylcarbamoyl)acetamide
CID 10976790

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide (CID 175550824) is 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide is Cc1ccc(NC(=O)NC(=O)CCl)c2c1CCO2.
What is the InChIKey of 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide?
The InChIKey is SPPQZRVMKGULLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3/c1-7-2-3-9(11-8(7)4-5-18-11)14-12(17)15-10(16)6-13/h2-3H,4-6H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide?
2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide has a molecular weight of 268.70 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methyl-2,3-dihydro-1-benzofuran-7-yl)carbamoyl]acetamide is sourced from PubChem (CID 175550824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).