N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C19H20ClNO4 — CID 86863747

IUPACN-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCOCCOc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H20ClNO4/c1-2-23-10-11-25-18-15(20)4-3-5-16(18)21-19(22)14-6-7-17-13(12-14)8-9-24-17/h3-7,12H,2,8-11H2,1H3,(H,21,22)
InChIKeyOYOYPRPXEQXOQF-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.94
Rot. Bonds7

About N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 86863747) has the molecular formula C19H20ClNO4 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID86863747
Molecular FormulaC19H20ClNO4
Molecular Weight361.83 g/mol
Exact Mass361.11
IUPAC NameN-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCOCCOc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C19H20ClNO4/c1-2-23-10-11-25-18-15(20)4-3-5-16(18)21-19(22)14-6-7-17-13(12-14)8-9-24-17/h3-7,12H,2,8-11H2,1H3,(H,21,22)
InChIKeyOYOYPRPXEQXOQF-UHFFFAOYSA-N
XLogP3.94
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103479981
3-[3-chloro-2-(2-ethoxyethoxy)phenyl]-1,1-diethylurea
CID 56821996
N-(4-chloro-2,5-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693481
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
3-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302410
2-(4-aminophenyl)-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]acetamide
CID 119747202
(2S)-2-amino-N-[3-chloro-2-(2-ethoxyethoxy)phenyl]propanamide;hydrochloride
CID 119302408
2-[[3-chloro-2-(2-ethoxyethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975465
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119747231
N-(2-ethyl-6-methoxy-3-pyridinyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 136567147
3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide
CID 38557928

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 86863747) is N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CCOCCOc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is OYOYPRPXEQXOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO4/c1-2-23-10-11-25-18-15(20)4-3-5-16(18)21-19(22)14-6-7-17-13(12-14)8-9-24-17/h3-7,12H,2,8-11H2,1H3,(H,21,22).
What are the key properties of N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 361.83 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(2-ethoxyethoxy)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 86863747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).