N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide

C12H17IN2O — CID 119524913

IUPACN-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)CN)cc1I
InChIInChI=1S/C12H17IN2O/c1-8-4-5-9(6-10(8)13)11(16)15-12(2,3)7-14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyFDLIQXYVSHFFQD-UHFFFAOYSA-N
MW332.19 g/mol
LogP2.07
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide

N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide (PubChem CID 119524913) has the molecular formula C12H17IN2O and a molecular weight of 332.19 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide
PubChem CID119524913
Molecular FormulaC12H17IN2O
Molecular Weight332.19 g/mol
Exact Mass332.04
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)CN)cc1I
InChIInChI=1S/C12H17IN2O/c1-8-4-5-9(6-10(8)13)11(16)15-12(2,3)7-14/h4-6H,7,14H2,1-3H3,(H,15,16)
InChIKeyFDLIQXYVSHFFQD-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 52.07
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-[3-(aminomethyl)pentan-3-yl]-3-iodo-4-methylbenzamide;hydrochloride
CID 119571856
3-iodo-4-methylbenzohydrazide
CID 59732500
N-(1-amino-2-methylpropan-2-yl)-3-methylbenzamide;hydrochloride
CID 119523789
N-[3-(tert-butylcarbamoyl)phenyl]-3-iodo-4-methylbenzamide
CID 28639414
N-(1-amino-2-methylpropan-2-yl)naphthalene-2-carboxamide;hydrochloride
CID 119524758
N-(1-amino-2-methylpropan-2-yl)-3,5-dimethylbenzamide;hydrochloride
CID 119522804
3-N-(1-amino-2-methylpropan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119523948
N-(1-amino-2-methylpropan-2-yl)-2,5-dimethylbenzamide;hydrochloride
CID 119523285
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-3-(trifluoromethyl)benzamide;hydrochloride
CID 119524337
N-(1-amino-2-methylpropan-2-yl)-1H-indole-5-carboxamide
CID 55231181
N-(4-amino-2-methylbutan-2-yl)-3,4-dihydroxybenzamide
CID 107727561
N-(1-amino-2-methylpropan-2-yl)-1H-pyrrole-3-carboxamide;hydrochloride
CID 130650761

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide (CID 119524913) is N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide is Cc1ccc(C(=O)NC(C)(C)CN)cc1I.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide?
The InChIKey is FDLIQXYVSHFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN2O/c1-8-4-5-9(6-10(8)13)11(16)15-12(2,3)7-14/h4-6H,7,14H2,1-3H3,(H,15,16).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide?
N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide has a molecular weight of 332.19 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-iodo-4-methylbenzamide is sourced from PubChem (CID 119524913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).