5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide

C26H28FN3O — CID 177268956

IUPAC5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2cccc3c(F)cccc23)CC1
InChIInChI=1S/C26H28FN3O/c1-17-10-11-18(30-15-19(16-30)29(2)3)14-22(17)25(31)28-26(12-13-26)23-8-4-7-21-20(23)6-5-9-24(21)27/h4-11,14,19H,12-13,15-16H2,1-3H3,(H,28,31)
InChIKeyCFFGCWIWDATYCB-UHFFFAOYSA-N
MW417.53 g/mol
LogP4.46
Rot. Bonds5

About 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide

5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide (PubChem CID 177268956) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
PubChem CID177268956
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2cccc3c(F)cccc23)CC1
InChIInChI=1S/C26H28FN3O/c1-17-10-11-18(30-15-19(16-30)29(2)3)14-22(17)25(31)28-26(12-13-26)23-8-4-7-21-20(23)6-5-9-24(21)27/h4-11,14,19H,12-13,15-16H2,1-3H3,(H,28,31)
InChIKeyCFFGCWIWDATYCB-UHFFFAOYSA-N
XLogP4.46
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269051
N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268795
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269126
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
CID 177269122
N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177269052
N-[1-(1,3-benzodioxol-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268833
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide
CID 177268971
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(1,7-naphthyridin-4-yl)cyclopropyl]benzamide
CID 177268830
5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269144
N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268899
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174194684
4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid
CID 177269082

Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide?
The IUPAC name of 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide (CID 177268956) is 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide.
What is the SMILES notation for 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide?
The canonical SMILES for 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide is Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2cccc3c(F)cccc23)CC1.
What is the InChIKey of 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide?
The InChIKey is CFFGCWIWDATYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c1-17-10-11-18(30-15-19(16-30)29(2)3)14-22(17)25(31)28-26(12-13-26)23-8-4-7-21-20(23)6-5-9-24(21)27/h4-11,14,19H,12-13,15-16H2,1-3H3,(H,28,31).
What are the key properties of 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide?
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide has a molecular weight of 417.53 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide is sourced from PubChem (CID 177268956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).