N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride

C13H17Cl2IN2O — CID 119573365

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(Cl)ccc1I)C1CC1.Cl
InChIInChI=1S/C13H16ClIN2O.ClH/c1-13(7-16,8-2-3-8)17-12(18)10-6-9(14)4-5-11(10)15;/h4-6,8H,2-3,7,16H2,1H3,(H,17,18);1H
InChIKeyRCZQFFMSBPNCTC-UHFFFAOYSA-N
MW415.10 g/mol
LogP3.22
Rot. Bonds4

About N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride

N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride (PubChem CID 119573365) has the molecular formula C13H17Cl2IN2O and a molecular weight of 415.10 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
PubChem CID119573365
Molecular FormulaC13H17Cl2IN2O
Molecular Weight415.10 g/mol
Exact Mass413.98
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride
SMILESCC(CN)(NC(=O)c1cc(Cl)ccc1I)C1CC1.Cl
InChIInChI=1S/C13H16ClIN2O.ClH/c1-13(7-16,8-2-3-8)17-12(18)10-6-9(14)4-5-11(10)15;/h4-6,8H,2-3,7,16H2,1H3,(H,17,18);1H
InChIKeyRCZQFFMSBPNCTC-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.10
LogP ≤ 53.22
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

N-(1-amino-2-cyclopropylpropan-2-yl)-2,5-dichlorobenzamide;hydrochloride
CID 119572690
N-(1-amino-2-cyclopropylpropan-2-yl)-4,5-difluoro-2-iodobenzamide
CID 119573143
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide;hydrochloride
CID 119572423
N-(1-amino-2,4-dimethylpentan-2-yl)-5-chloro-2-iodobenzamide
CID 103807187
N-(1-amino-2-cyclopropylpropan-2-yl)-2,4-dichloro-5-fluorobenzamide
CID 119572424
N-(1-amino-2-cyclopropylpropan-2-yl)-7-chloroquinoline-2-carboxamide
CID 119573656
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloropyridine-4-carboxamide
CID 81486883
N-(1-amino-2-cyclopropylpropan-2-yl)-3-chloro-4-methylbenzamide;hydrochloride
CID 119574274
N-(1-amino-2-cyclopropylpropan-2-yl)-2-methyl-5-methylsulfonylbenzamide;hydrochloride
CID 119574388
N-(1-amino-2-cyclopropylpropan-2-yl)-2-chloro-5-nitrobenzamide
CID 115307722
N-(1-amino-2-cyclopropylpropan-2-yl)-2-(4-chlorophenyl)acetamide
CID 81487152
N-(1-amino-2-cyclopropylpropan-2-yl)-3-bromo-4-fluorobenzamide;hydrochloride
CID 119575379

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride (CID 119573365) is N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride is CC(CN)(NC(=O)c1cc(Cl)ccc1I)C1CC1.Cl.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride?
The InChIKey is RCZQFFMSBPNCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O.ClH/c1-13(7-16,8-2-3-8)17-12(18)10-6-9(14)4-5-11(10)15;/h4-6,8H,2-3,7,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride?
N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride has a molecular weight of 415.10 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-5-chloro-2-iodobenzamide;hydrochloride is sourced from PubChem (CID 119573365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).