N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide

C24H22BrN3O2 — CID 66605759

IUPACN-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc4cc(Br)ccc4c3)C2)C1)c1ccccc1
InChIInChI=1S/C24H22BrN3O2/c25-20-9-8-17-10-19(7-6-18(17)11-20)24(30)28-14-22(15-28)27-12-21(13-27)26-23(29)16-4-2-1-3-5-16/h1-11,21-22H,12-15H2,(H,26,29)
InChIKeyCTDOVXFHQBKEAE-UHFFFAOYSA-N
MW464.36 g/mol
LogP3.54
Rot. Bonds4

About N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide

N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide (PubChem CID 66605759) has the molecular formula C24H22BrN3O2 and a molecular weight of 464.36 g/mol. Its IUPAC name is N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide
PubChem CID66605759
Molecular FormulaC24H22BrN3O2
Molecular Weight464.36 g/mol
Exact Mass463.09
IUPAC NameN-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide
SMILESO=C(NC1CN(C2CN(C(=O)c3ccc4cc(Br)ccc4c3)C2)C1)c1ccccc1
InChIInChI=1S/C24H22BrN3O2/c25-20-9-8-17-10-19(7-6-18(17)11-20)24(30)28-14-22(15-28)27-12-21(13-27)26-23(29)16-4-2-1-3-5-16/h1-11,21-22H,12-15H2,(H,26,29)
InChIKeyCTDOVXFHQBKEAE-UHFFFAOYSA-N
XLogP3.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-(6-phenylnaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 56925019
N-[1-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)azetidin-3-yl]azetidin-3-yl]-1,3-thiazole-2-carboxamide
CID 56924986
(6-bromonaphthalen-2-yl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 115353693
(6-bromonaphthalen-2-yl)-(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 115969934
(6-bromonaphthalen-2-yl)-(2-methylmorpholin-4-yl)methanone
CID 115283093
(6-bromonaphthalen-2-yl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900236
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
CID 39698292
6-bromo-N-(2-methylcyclopropyl)naphthalene-2-carboxamide
CID 113278363
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
6-bromo-N-(2-bromocyclopentyl)naphthalene-2-carboxamide
CID 115354131
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide?
The IUPAC name of N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide (CID 66605759) is N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide.
What is the SMILES notation for N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide?
The canonical SMILES for N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide is O=C(NC1CN(C2CN(C(=O)c3ccc4cc(Br)ccc4c3)C2)C1)c1ccccc1.
What is the InChIKey of N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide?
The InChIKey is CTDOVXFHQBKEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrN3O2/c25-20-9-8-17-10-19(7-6-18(17)11-20)24(30)28-14-22(15-28)27-12-21(13-27)26-23(29)16-4-2-1-3-5-16/h1-11,21-22H,12-15H2,(H,26,29).
What are the key properties of N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide?
N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide has a molecular weight of 464.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(6-bromonaphthalene-2-carbonyl)azetidin-3-yl]azetidin-3-yl]benzamide is sourced from PubChem (CID 66605759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).