2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide

C14H19BrClN3O — CID 66213695

IUPAC2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Br)cc1Cl)C1CNC1
InChIInChI=1S/C14H19BrClN3O/c1-2-5-19(11-7-17-8-11)9-14(20)18-13-4-3-10(15)6-12(13)16/h3-4,6,11,17H,2,5,7-9H2,1H3,(H,18,20)
InChIKeyWOIYQQDTBVPVQF-UHFFFAOYSA-N
MW360.68 g/mol
LogP2.72
Rot. Bonds6

About 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide

2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide (PubChem CID 66213695) has the molecular formula C14H19BrClN3O and a molecular weight of 360.68 g/mol. Its IUPAC name is 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide
PubChem CID66213695
Molecular FormulaC14H19BrClN3O
Molecular Weight360.68 g/mol
Exact Mass359.04
IUPAC Name2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(Br)cc1Cl)C1CNC1
InChIInChI=1S/C14H19BrClN3O/c1-2-5-19(11-7-17-8-11)9-14(20)18-13-4-3-10(15)6-12(13)16/h3-4,6,11,17H,2,5,7-9H2,1H3,(H,18,20)
InChIKeyWOIYQQDTBVPVQF-UHFFFAOYSA-N
XLogP2.72
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.68
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-fluorophenyl)acetamide
CID 66213710
2-[azetidin-3-yl(propyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66216307
2-[azetidin-3-yl(propyl)amino]-N-(5-bromo-2-pyridinyl)acetamide
CID 66214675
2-[azetidin-3-yl(ethyl)amino]-N-(2-chlorophenyl)acetamide
CID 66183463
2-[azetidin-3-yl(propyl)amino]-N-(2-methoxyphenyl)acetamide
CID 66216109
2-[azetidin-3-yl(propyl)amino]-N-(4-fluorophenyl)acetamide
CID 66213900
2-[azetidin-3-yl(ethyl)amino]-N-(2-bromo-4-methylphenyl)acetamide
CID 66183880
2-[azetidin-3-yl(ethyl)amino]-N-(4-bromophenyl)acetamide
CID 66183425
N-(2-chloro-4-methylphenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63637830
2-[azetidin-3-yl(ethyl)amino]-N-(2,3-dichlorophenyl)acetamide
CID 66181735
4-bromo-N-[2-(2,4-dichloroanilino)-2-oxoethyl]-N-propylbenzamide
CID 27793697
N-(3-chloro-4-methylphenyl)-2-[propyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119921601

Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide?
The IUPAC name of 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide (CID 66213695) is 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide.
What is the SMILES notation for 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide?
The canonical SMILES for 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(Br)cc1Cl)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide?
The InChIKey is WOIYQQDTBVPVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN3O/c1-2-5-19(11-7-17-8-11)9-14(20)18-13-4-3-10(15)6-12(13)16/h3-4,6,11,17H,2,5,7-9H2,1H3,(H,18,20).
What are the key properties of 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide?
2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide has a molecular weight of 360.68 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(propyl)amino]-N-(4-bromo-2-chlorophenyl)acetamide is sourced from PubChem (CID 66213695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).