4-[(3-iodoanilino)methyl]-3-methylbenzamide

C15H15IN2O — CID 114479793

IUPAC4-[(3-iodoanilino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNc1cccc(I)c1
InChIInChI=1S/C15H15IN2O/c1-10-7-11(15(17)19)5-6-12(10)9-18-14-4-2-3-13(16)8-14/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyKSGQEIQOIQAEQY-UHFFFAOYSA-N
MW366.20 g/mol
LogP3.31
Rot. Bonds4

About 4-[(3-iodoanilino)methyl]-3-methylbenzamide

4-[(3-iodoanilino)methyl]-3-methylbenzamide (PubChem CID 114479793) has the molecular formula C15H15IN2O and a molecular weight of 366.20 g/mol. Its IUPAC name is 4-[(3-iodoanilino)methyl]-3-methylbenzamide.

Molecular Properties

Compound Name4-[(3-iodoanilino)methyl]-3-methylbenzamide
PubChem CID114479793
Molecular FormulaC15H15IN2O
Molecular Weight366.20 g/mol
Exact Mass366.02
IUPAC Name4-[(3-iodoanilino)methyl]-3-methylbenzamide
SMILESCc1cc(C(N)=O)ccc1CNc1cccc(I)c1
InChIInChI=1S/C15H15IN2O/c1-10-7-11(15(17)19)5-6-12(10)9-18-14-4-2-3-13(16)8-14/h2-8,18H,9H2,1H3,(H2,17,19)
InChIKeyKSGQEIQOIQAEQY-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.20
LogP ≤ 53.31
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

3-methyl-4-[(3-methylanilino)methyl]benzamide
CID 114479536
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
N-[(4-fluoro-2-methylphenyl)methyl]-3-iodoaniline
CID 63421874
3-[(2,4,5-trimethylphenyl)methylamino]benzamide
CID 43767609
4-[(2-cyano-3-methylanilino)methyl]-3-methylbenzamide
CID 107804479
3-fluoro-4-[(4-fluoro-3-methylanilino)methyl]benzamide
CID 62810109
4-[(2,2-dimethylpropylamino)methyl]-3-methylbenzamide
CID 114479983
3-methyl-4-[(propan-2-ylamino)methyl]benzamide
CID 114479524
3-chloro-N'-hydroxy-4-[(3-iodoanilino)methyl]benzenecarboximidamide
CID 102667062
4-[[2-(methoxymethyl)anilino]methyl]-3-methylbenzamide
CID 114480071
3-[(4-iodophenyl)methylamino]benzamide
CID 107811157
4-(anilinomethyl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 114482639

Frequently Asked Questions

What is the IUPAC name of 4-[(3-iodoanilino)methyl]-3-methylbenzamide?
The IUPAC name of 4-[(3-iodoanilino)methyl]-3-methylbenzamide (CID 114479793) is 4-[(3-iodoanilino)methyl]-3-methylbenzamide.
What is the SMILES notation for 4-[(3-iodoanilino)methyl]-3-methylbenzamide?
The canonical SMILES for 4-[(3-iodoanilino)methyl]-3-methylbenzamide is Cc1cc(C(N)=O)ccc1CNc1cccc(I)c1.
What is the InChIKey of 4-[(3-iodoanilino)methyl]-3-methylbenzamide?
The InChIKey is KSGQEIQOIQAEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2O/c1-10-7-11(15(17)19)5-6-12(10)9-18-14-4-2-3-13(16)8-14/h2-8,18H,9H2,1H3,(H2,17,19).
What are the key properties of 4-[(3-iodoanilino)methyl]-3-methylbenzamide?
4-[(3-iodoanilino)methyl]-3-methylbenzamide has a molecular weight of 366.20 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-iodoanilino)methyl]-3-methylbenzamide is sourced from PubChem (CID 114479793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).