N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide

C24H26ClN3O2 — CID 177268899

IUPACN-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(Cl)c3ccoc23)CC1
InChIInChI=1S/C24H26ClN3O2/c1-15-4-5-16(28-13-17(14-28)27(2)3)12-19(15)23(29)26-24(9-10-24)20-6-7-21(25)18-8-11-30-22(18)20/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,26,29)
InChIKeyCXRHZINRGUYSDB-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.56
Rot. Bonds5

About N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide

N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide (PubChem CID 177268899) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
PubChem CID177268899
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC NameN-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(Cl)c3ccoc23)CC1
InChIInChI=1S/C24H26ClN3O2/c1-15-4-5-16(28-13-17(14-28)27(2)3)12-19(15)23(29)26-24(9-10-24)20-6-7-21(25)18-8-11-30-22(18)20/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,26,29)
InChIKeyCXRHZINRGUYSDB-UHFFFAOYSA-N
XLogP4.56
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide (CID 177268899) is N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide is Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(Cl)c3ccoc23)CC1.
What is the InChIKey of N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
The InChIKey is CXRHZINRGUYSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-15-4-5-16(28-13-17(14-28)27(2)3)12-19(15)23(29)26-24(9-10-24)20-6-7-21(25)18-8-11-30-22(18)20/h4-8,11-12,17H,9-10,13-14H2,1-3H3,(H,26,29).
What are the key properties of N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide has a molecular weight of 423.94 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide is sourced from PubChem (CID 177268899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).