N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide

C13H16ClIN2O — CID 114030457

IUPACN-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)ccc1I)C1CNC1
InChIInChI=1S/C13H16ClIN2O/c1-2-5-17(10-7-16-8-10)13(18)11-6-9(14)3-4-12(11)15/h3-4,6,10,16H,2,5,7-8H2,1H3
InChIKeyHSFJMZNNZDFNSV-UHFFFAOYSA-N
MW378.64 g/mol
LogP2.77
Rot. Bonds4

About N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide

N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide (PubChem CID 114030457) has the molecular formula C13H16ClIN2O and a molecular weight of 378.64 g/mol. Its IUPAC name is N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide
PubChem CID114030457
Molecular FormulaC13H16ClIN2O
Molecular Weight378.64 g/mol
Exact Mass378.00
IUPAC NameN-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide
SMILESCCCN(C(=O)c1cc(Cl)ccc1I)C1CNC1
InChIInChI=1S/C13H16ClIN2O/c1-2-5-17(10-7-16-8-10)13(18)11-6-9(14)3-4-12(11)15/h3-4,6,10,16H,2,5,7-8H2,1H3
InChIKeyHSFJMZNNZDFNSV-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-hydroxy-N-piperidin-3-yl-N-propylbenzamide
CID 63636752
N-(azetidin-3-yl)-2,3,4-trifluoro-N-propylbenzamide
CID 79749886
5-chloro-N-(2-cyanoethyl)-N-cyclopropyl-2-iodobenzamide
CID 113239852
N-(3-bromopropyl)-5-chloro-N-cyclobutyl-2-iodobenzamide
CID 114029735
N-(azetidin-3-yl)-2-(3-chlorophenyl)-N-propylacetamide
CID 66182884
4-chloro-2-nitro-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530295
N-(azetidin-3-yl)-5-chloro-N-propylfuran-2-carboxamide
CID 66183740
N-(azetidin-3-yl)-2,5-dimethyl-N-propylfuran-3-carboxamide
CID 66181383
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458
N-(azetidin-3-yl)-3,6-dimethyl-N-propylpyridazine-4-carboxamide
CID 113439411
N-(azetidin-3-yl)-3-bromo-4-fluoro-N-propylbenzamide
CID 107956199
2-hydroxy-5-iodo-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 107732095

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide (CID 114030457) is N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide is CCCN(C(=O)c1cc(Cl)ccc1I)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide?
The InChIKey is HSFJMZNNZDFNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O/c1-2-5-17(10-7-16-8-10)13(18)11-6-9(14)3-4-12(11)15/h3-4,6,10,16H,2,5,7-8H2,1H3.
What are the key properties of N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide?
N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide has a molecular weight of 378.64 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-5-chloro-2-iodo-N-propylbenzamide is sourced from PubChem (CID 114030457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).