N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide

C13H18FIN2O — CID 119656442

IUPACN-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C13H18FIN2O/c1-13(2,7-16)8-17(3)12(18)9-4-5-11(15)10(14)6-9/h4-6H,7-8,16H2,1-3H3
InChIKeyBWPNICZSRPPNMR-UHFFFAOYSA-N
MW364.20 g/mol
LogP2.49
Rot. Bonds4

About N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide

N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide (PubChem CID 119656442) has the molecular formula C13H18FIN2O and a molecular weight of 364.20 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide
PubChem CID119656442
Molecular FormulaC13H18FIN2O
Molecular Weight364.20 g/mol
Exact Mass364.04
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide
SMILESCN(CC(C)(C)CN)C(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C13H18FIN2O/c1-13(2,7-16)8-17(3)12(18)9-4-5-11(15)10(14)6-9/h4-6H,7-8,16H2,1-3H3
InChIKeyBWPNICZSRPPNMR-UHFFFAOYSA-N
XLogP2.49
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.20
LogP ≤ 52.49
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

4-N-(3-amino-2,2-dimethylpropyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 119656143
N-(3-amino-2,2-dimethylpropyl)-4-fluoro-2-iodo-N-methylbenzamide
CID 113265912
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-methylsulfanylbenzamide
CID 79651919
N-(3-amino-2,2-dimethylpropyl)-5-chloro-2-iodo-N-methylbenzamide;hydrochloride
CID 119653819
3-N-(3-amino-2,2-dimethylpropyl)-1-N,1-N,3-N-trimethylbenzene-1,3-dicarboxamide;hydrochloride
CID 119657069
N-(3-amino-2,2-dimethylpropyl)-4-(2-methoxyethoxy)-N-methylbenzamide
CID 119654669
N-(1-aminopropan-2-yl)-3-fluoro-4-iodo-N-methylbenzamide;hydrochloride
CID 119584721
N-(3-amino-2,2-dimethylpropyl)-N-methylpyridine-4-carboxamide;dihydrochloride
CID 119653576
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
N-(3-amino-2,2-dimethylpropyl)-4-chloro-N-ethyl-3-fluorobenzamide
CID 107990619
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-N-methyl-5-(trifluoromethyl)benzamide
CID 119657221
N-(3-amino-2,2-dimethylpropyl)-N-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 79652401

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide (CID 119656442) is N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide is CN(CC(C)(C)CN)C(=O)c1ccc(I)c(F)c1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide?
The InChIKey is BWPNICZSRPPNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FIN2O/c1-13(2,7-16)8-17(3)12(18)9-4-5-11(15)10(14)6-9/h4-6H,7-8,16H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide?
N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide has a molecular weight of 364.20 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-3-fluoro-4-iodo-N-methylbenzamide is sourced from PubChem (CID 119656442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).