3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride

C11H15Cl2IN2O — CID 120829252

IUPAC3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(I)c(Cl)c1.Cl
InChIInChI=1S/C11H14ClIN2O.ClH/c1-7(14-2)6-15-11(16)8-3-4-10(13)9(12)5-8;/h3-5,7,14H,6H2,1-2H3,(H,15,16);1H
InChIKeyCSFAFCOPSBADTJ-UHFFFAOYSA-N
MW389.06 g/mol
LogP2.70
Rot. Bonds4

About 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride

3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120829252) has the molecular formula C11H15Cl2IN2O and a molecular weight of 389.06 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120829252
Molecular FormulaC11H15Cl2IN2O
Molecular Weight389.06 g/mol
Exact Mass387.96
IUPAC Name3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(I)c(Cl)c1.Cl
InChIInChI=1S/C11H14ClIN2O.ClH/c1-7(14-2)6-15-11(16)8-3-4-10(13)9(12)5-8;/h3-5,7,14H,6H2,1-2H3,(H,15,16);1H
InChIKeyCSFAFCOPSBADTJ-UHFFFAOYSA-N
XLogP2.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.06
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-methyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120828729
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729
3-chloro-N-(2,2-difluoroethyl)-4-iodobenzamide
CID 103737133
3-chloro-N-(4-chloro-2-methylbutyl)-4-iodobenzamide
CID 103212434
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-4-iodobenzamide
CID 103770165
3-chloro-N-(2-hydroxybutyl)-4-iodobenzamide
CID 103209174
3,4-dichloro-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide;hydrochloride
CID 120828973
N-(2-aminobutyl)-3-chloro-4-iodobenzamide
CID 103209439
3-chloro-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
N-[2-chloro-5-[2-(methylamino)propylcarbamoyl]phenyl]thiophene-2-carboxamide;hydrochloride
CID 120827309
3,4-dihydroxy-N-[2-(methylamino)propyl]benzamide
CID 107728277
3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103734931

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120829252) is 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(I)c(Cl)c1.Cl.
What is the InChIKey of 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is CSFAFCOPSBADTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O.ClH/c1-7(14-2)6-15-11(16)8-3-4-10(13)9(12)5-8;/h3-5,7,14H,6H2,1-2H3,(H,15,16);1H.
What are the key properties of 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride?
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 389.06 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120829252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).