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

C26H28ClN3O — CID 177268795

IUPACN-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(Cl)c3ccccc23)CC1
InChIInChI=1S/C26H28ClN3O/c1-17-8-9-18(30-15-19(16-30)29(2)3)14-22(17)25(31)28-26(12-13-26)23-10-11-24(27)21-7-5-4-6-20(21)23/h4-11,14,19H,12-13,15-16H2,1-3H3,(H,28,31)
InChIKeyGXZLODXCILGVLC-UHFFFAOYSA-N
MW433.98 g/mol
LogP4.97
Rot. Bonds5

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

N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide (PubChem CID 177268795) has the molecular formula C26H28ClN3O and a molecular weight of 433.98 g/mol. Its IUPAC name is N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
PubChem CID177268795
Molecular FormulaC26H28ClN3O
Molecular Weight433.98 g/mol
Exact Mass433.19
IUPAC NameN-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
SMILESCc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(Cl)c3ccccc23)CC1
InChIInChI=1S/C26H28ClN3O/c1-17-8-9-18(30-15-19(16-30)29(2)3)14-22(17)25(31)28-26(12-13-26)23-10-11-24(27)21-7-5-4-6-20(21)23/h4-11,14,19H,12-13,15-16H2,1-3H3,(H,28,31)
InChIKeyGXZLODXCILGVLC-UHFFFAOYSA-N
XLogP4.97
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[4-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269126
N-[1-(4-chloro-1-benzofuran-7-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268899
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-(4-methylsulfonylnaphthalen-1-yl)cyclopropyl]benzamide
CID 177269122
5-[3-(dimethylamino)azetidin-1-yl]-N-[1-(5-fluoronaphthalen-1-yl)cyclopropyl]-2-methylbenzamide
CID 177268956
N-[1-(8-chloroquinolin-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177269052
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-[1-[5-(methylamino)naphthalen-1-yl]cyclopropyl]benzamide
CID 177269051
N-[1-(1,3-benzodioxol-4-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide
CID 177268833
4-[1-[[5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzoyl]amino]cyclopropyl]-2-oxo-1,3-dihydroindole-7-carboxylic acid
CID 177269082
5-[3-(dihydroxyamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177269144
5-[3-(dimethylamino)azetidin-1-yl]-2-methyl-N-(1-quinolin-8-ylcyclopropyl)benzamide
CID 177268971
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-2-methyl-N-(1-naphthalen-1-ylcyclopropyl)benzamide
CID 174194684
2-methyl-5-[3-(methylamino)azetidin-1-yl]-N-(1-quinolin-4-ylcyclopropyl)benzamide
CID 177268938

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
The IUPAC name of N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide (CID 177268795) is N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide is Cc1ccc(N2CC(N(C)C)C2)cc1C(=O)NC1(c2ccc(Cl)c3ccccc23)CC1.
What is the InChIKey of N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
The InChIKey is GXZLODXCILGVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN3O/c1-17-8-9-18(30-15-19(16-30)29(2)3)14-22(17)25(31)28-26(12-13-26)23-10-11-24(27)21-7-5-4-6-20(21)23/h4-11,14,19H,12-13,15-16H2,1-3H3,(H,28,31).
What are the key properties of N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide?
N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide has a molecular weight of 433.98 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloronaphthalen-1-yl)cyclopropyl]-5-[3-(dimethylamino)azetidin-1-yl]-2-methylbenzamide is sourced from PubChem (CID 177268795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).