3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide

C15H19ClN2O3 — CID 115777523

IUPAC3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H19ClN2O3/c1-20-9-8-18-14(19)6-7-17-10-12-11-4-2-3-5-13(11)21-15(12)16/h2-5,17H,6-10H2,1H3,(H,18,19)
InChIKeyXJIKNNPYSXHDBA-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.33
Rot. Bonds8

About 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide

3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide (PubChem CID 115777523) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide
PubChem CID115777523
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)CCNCc1c(Cl)oc2ccccc12
InChIInChI=1S/C15H19ClN2O3/c1-20-9-8-18-14(19)6-7-17-10-12-11-4-2-3-5-13(11)21-15(12)16/h2-5,17H,6-10H2,1H3,(H,18,19)
InChIKeyXJIKNNPYSXHDBA-UHFFFAOYSA-N
XLogP2.33
TPSA63.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-1-benzofuran-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 82711670
2-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethoxy]ethanol
CID 82705701
2-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-methylethanesulfonamide
CID 102674859
3-[(2-chloro-1-benzofuran-3-yl)methylamino]propan-1-ol
CID 82705604
(E)-N-[(2-chloro-1-benzofuran-3-yl)methyl]pent-3-en-1-amine
CID 115777550
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
3-[(2-bromophenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686507
3-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylamino]-N-(2-methoxyethyl)propanamide
CID 115625613
N-[(2-chloro-1-benzofuran-3-yl)methyl]but-3-yn-1-amine
CID 82760375
3-[(4-ethylphenyl)methylamino]-N-(2-methoxyethyl)propanamide
CID 112686525
N-[(2-chloro-1-benzofuran-3-yl)methyl]-2-methylprop-2-en-1-amine
CID 114615968
4-[2-[(2-chloro-1-benzofuran-3-yl)methylamino]ethyl]phenol
CID 82711814

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide (CID 115777523) is 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)CCNCc1c(Cl)oc2ccccc12.
What is the InChIKey of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide?
The InChIKey is XJIKNNPYSXHDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-20-9-8-18-14(19)6-7-17-10-12-11-4-2-3-5-13(11)21-15(12)16/h2-5,17H,6-10H2,1H3,(H,18,19).
What are the key properties of 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide?
3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide has a molecular weight of 310.78 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-1-benzofuran-3-yl)methylamino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115777523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).