4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide

C18H19ClN2O2 — CID 75519974

IUPAC4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCc2cc(Cl)cc3c2OCC3)cc1
InChIInChI=1S/C18H19ClN2O2/c1-20-18(22)13-4-2-12(3-5-13)10-21-11-15-9-16(19)8-14-6-7-23-17(14)15/h2-5,8-9,21H,6-7,10-11H2,1H3,(H,20,22)
InChIKeyHOBJKLDNYSUOEF-UHFFFAOYSA-N
MW330.82 g/mol
LogP2.92
Rot. Bonds5

About 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide

4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide (PubChem CID 75519974) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide
PubChem CID75519974
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNCc2cc(Cl)cc3c2OCC3)cc1
InChIInChI=1S/C18H19ClN2O2/c1-20-18(22)13-4-2-12(3-5-13)10-21-11-15-9-16(19)8-14-6-7-23-17(14)15/h2-5,8-9,21H,6-7,10-11H2,1H3,(H,20,22)
InChIKeyHOBJKLDNYSUOEF-UHFFFAOYSA-N
XLogP2.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-4-methylpentanoic acid
CID 122073245
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]methanamine
CID 102673217
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-[(1-methylcyclopropyl)methyl]methanamine
CID 113381750
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 113381748
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3-(ethylamino)propan-2-one
CID 116562535
N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106833982
3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylcarbamoyl-methylamino]propanoic acid
CID 122009807
2-(5-bromothiophen-2-yl)-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]ethanamine
CID 106047182
2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107852664
3-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-methylbutan-1-ol
CID 113381738
(2S)-2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]-3-methylbutan-1-ol
CID 114982869
2-chloro-N-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-4,4-dimethylpentan-1-amine
CID 107155602

Frequently Asked Questions

What is the IUPAC name of 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide (CID 75519974) is 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNCc2cc(Cl)cc3c2OCC3)cc1.
What is the InChIKey of 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide?
The InChIKey is HOBJKLDNYSUOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-20-18(22)13-4-2-12(3-5-13)10-21-11-15-9-16(19)8-14-6-7-23-17(14)15/h2-5,8-9,21H,6-7,10-11H2,1H3,(H,20,22).
What are the key properties of 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide?
4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide has a molecular weight of 330.82 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 75519974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).