3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide

C13H13IN2O2 — CID 112750794

IUPAC3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1cc(N)cc(I)c1
InChIInChI=1S/C13H13IN2O2/c1-16(8-12-3-2-4-18-12)13(17)9-5-10(14)7-11(15)6-9/h2-7H,8,15H2,1H3
InChIKeyGRZVRAUYSUKUHT-UHFFFAOYSA-N
MW356.16 g/mol
LogP2.74
Rot. Bonds3

About 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide

3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide (PubChem CID 112750794) has the molecular formula C13H13IN2O2 and a molecular weight of 356.16 g/mol. Its IUPAC name is 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
PubChem CID112750794
Molecular FormulaC13H13IN2O2
Molecular Weight356.16 g/mol
Exact Mass356.00
IUPAC Name3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide
SMILESCN(Cc1ccco1)C(=O)c1cc(N)cc(I)c1
InChIInChI=1S/C13H13IN2O2/c1-16(8-12-3-2-4-18-12)13(17)9-5-10(14)7-11(15)6-9/h2-7H,8,15H2,1H3
InChIKeyGRZVRAUYSUKUHT-UHFFFAOYSA-N
XLogP2.74
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.16
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-3,5-dimethoxy-N,4-dimethylbenzamide
CID 31288728
4-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 43526535
2-amino-N-(furan-2-ylmethyl)-N,5-dimethylbenzamide
CID 62072448
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
2-amino-N-(furan-2-ylmethyl)-4,5-dimethoxy-N-methylbenzamide
CID 43526528
N-(furan-2-ylmethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103763376
2-amino-6-chloro-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 55246430
5-bromo-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 60629759
5-amino-2-chloro-N-(furan-2-ylmethyl)-N-methylpyridine-3-carboxamide
CID 114045921
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300
N-(furan-2-ylmethyl)-N-methyl-9-oxofluorene-2-carboxamide
CID 24615704
N-[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 27739703

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide?
The IUPAC name of 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide (CID 112750794) is 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide is CN(Cc1ccco1)C(=O)c1cc(N)cc(I)c1.
What is the InChIKey of 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide?
The InChIKey is GRZVRAUYSUKUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2O2/c1-16(8-12-3-2-4-18-12)13(17)9-5-10(14)7-11(15)6-9/h2-7H,8,15H2,1H3.
What are the key properties of 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide?
3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide has a molecular weight of 356.16 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(furan-2-ylmethyl)-5-iodo-N-methylbenzamide is sourced from PubChem (CID 112750794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).