N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide

C15H15IN2O — CID 43458354

IUPACN-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
SMILESCN(Cc1ccccc1N)C(=O)c1ccc(I)cc1
InChIInChI=1S/C15H15IN2O/c1-18(10-12-4-2-3-5-14(12)17)15(19)11-6-8-13(16)9-7-11/h2-9H,10,17H2,1H3
InChIKeyWRQAMEHECJRYNR-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.15
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide

N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide (PubChem CID 43458354) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
PubChem CID43458354
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC NameN-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
SMILESCN(Cc1ccccc1N)C(=O)c1ccc(I)cc1
InChIInChI=1S/C15H15IN2O/c1-18(10-12-4-2-3-5-14(12)17)15(19)11-6-8-13(16)9-7-11/h2-9H,10,17H2,1H3
InChIKeyWRQAMEHECJRYNR-UHFFFAOYSA-N
XLogP3.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-aminophenyl)methyl]-N-cyclopropyl-4-iodobenzamide
CID 43460874
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 43458378
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
N-[(2-aminophenyl)methyl]-2-bromo-6-fluoro-N-methylbenzamide
CID 114558373
3-amino-N-[(2-hydroxyphenyl)methyl]-N,4-dimethylbenzamide
CID 60963333
4-bromo-N-[(2-hydroxyphenyl)methyl]-N-methylbenzamide
CID 47230441
N-[(4-fluorophenyl)methyl]-4-iodo-N-methylbenzamide
CID 60628786
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
N-[(2-hydroxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 47290646
N-[(2-fluorophenyl)methyl]-N-methylbenzamide
CID 60628244
2-amino-N-[(2-bromophenyl)methyl]-N-methylbenzamide
CID 55028935

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide (CID 43458354) is N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide is CN(Cc1ccccc1N)C(=O)c1ccc(I)cc1.
What is the InChIKey of N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide?
The InChIKey is WRQAMEHECJRYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c1-18(10-12-4-2-3-5-14(12)17)15(19)11-6-8-13(16)9-7-11/h2-9H,10,17H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide?
N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide has a molecular weight of 366.20 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide is sourced from PubChem (CID 43458354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).