3-[(4-iodophenyl)methylamino]benzamide

C14H13IN2O — CID 107811157

IUPAC3-[(4-iodophenyl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2ccc(I)cc2)c1
InChIInChI=1S/C14H13IN2O/c15-12-6-4-10(5-7-12)9-17-13-3-1-2-11(8-13)14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKeyBJFLCVIRDTVHJI-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.00
Rot. Bonds4

About 3-[(4-iodophenyl)methylamino]benzamide

3-[(4-iodophenyl)methylamino]benzamide (PubChem CID 107811157) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is 3-[(4-iodophenyl)methylamino]benzamide.

Molecular Properties

Compound Name3-[(4-iodophenyl)methylamino]benzamide
PubChem CID107811157
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name3-[(4-iodophenyl)methylamino]benzamide
SMILESNC(=O)c1cccc(NCc2ccc(I)cc2)c1
InChIInChI=1S/C14H13IN2O/c15-12-6-4-10(5-7-12)9-17-13-3-1-2-11(8-13)14(16)18/h1-8,17H,9H2,(H2,16,18)
InChIKeyBJFLCVIRDTVHJI-UHFFFAOYSA-N
XLogP3.00
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.00
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-[(4-fluorophenyl)methylamino]benzamide
CID 28650463
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
3-[(4-ethoxyphenyl)methylamino]benzamide
CID 28650475
3-[[4-(propan-2-ylsulfonylamino)phenyl]methylamino]benzamide
CID 118376771
4-[(3-methylanilino)methyl]benzamide
CID 28564307
3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)benzamide
CID 28650742
3-[(2-hydroxyphenyl)methylamino]benzamide
CID 28650539
5-[(3-carbamoylanilino)methyl]thiophene-3-carboxamide
CID 79605970
3-[[3-(difluoromethyl)phenyl]methylamino]benzamide
CID 115526018
3-chloro-N-[(4-iodophenyl)methyl]aniline
CID 65477156
4-[(3-ethynylanilino)methyl]benzamide
CID 28564163
3-[(naphthalen-2-ylamino)methyl]benzamide
CID 43533069

Frequently Asked Questions

What is the IUPAC name of 3-[(4-iodophenyl)methylamino]benzamide?
The IUPAC name of 3-[(4-iodophenyl)methylamino]benzamide (CID 107811157) is 3-[(4-iodophenyl)methylamino]benzamide.
What is the SMILES notation for 3-[(4-iodophenyl)methylamino]benzamide?
The canonical SMILES for 3-[(4-iodophenyl)methylamino]benzamide is NC(=O)c1cccc(NCc2ccc(I)cc2)c1.
What is the InChIKey of 3-[(4-iodophenyl)methylamino]benzamide?
The InChIKey is BJFLCVIRDTVHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c15-12-6-4-10(5-7-12)9-17-13-3-1-2-11(8-13)14(16)18/h1-8,17H,9H2,(H2,16,18).
What are the key properties of 3-[(4-iodophenyl)methylamino]benzamide?
3-[(4-iodophenyl)methylamino]benzamide has a molecular weight of 352.18 g/mol, XLogP of 3.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-iodophenyl)methylamino]benzamide is sourced from PubChem (CID 107811157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).