4-iodo-3-(methylamino)benzamide

C8H9IN2O — CID 131403520

IUPAC4-iodo-3-(methylamino)benzamide
SMILESCNc1cc(C(N)=O)ccc1I
InChIInChI=1S/C8H9IN2O/c1-11-7-4-5(8(10)12)2-3-6(7)9/h2-4,11H,1H3,(H2,10,12)
InChIKeyHBDHDDVQDPDOSU-UHFFFAOYSA-N
MW276.08 g/mol
LogP1.43
Rot. Bonds2

About 4-iodo-3-(methylamino)benzamide

4-iodo-3-(methylamino)benzamide (PubChem CID 131403520) has the molecular formula C8H9IN2O and a molecular weight of 276.08 g/mol. Its IUPAC name is 4-iodo-3-(methylamino)benzamide.

Molecular Properties

Compound Name4-iodo-3-(methylamino)benzamide
PubChem CID131403520
Molecular FormulaC8H9IN2O
Molecular Weight276.08 g/mol
Exact Mass275.98
IUPAC Name4-iodo-3-(methylamino)benzamide
SMILESCNc1cc(C(N)=O)ccc1I
InChIInChI=1S/C8H9IN2O/c1-11-7-4-5(8(10)12)2-3-6(7)9/h2-4,11H,1H3,(H2,10,12)
InChIKeyHBDHDDVQDPDOSU-UHFFFAOYSA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.08
LogP ≤ 51.43
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-hydroxy-4-iodobenzamide
CID 24799921
3-chloro-4-iodobenzamide
CID 94675118
3-(methylamino)benzamide
CID 18727714
ethane;3-(methylamino)benzamide
CID 142071023
3-amino-4-[2-[4-carbamoyl-2-(methylamino)anilino]ethylamino]-N-methylbenzamide
CID 156790437
4-(methylamino)-3-(3-phenylprop-2-ynyl)benzamide
CID 142957986
4-tert-butyl-3-(methylaminomethylamino)benzamide
CID 19348699
ethyl 3-hydrazinyl-4-iodobenzoate
CID 131192878
4-amino-3-(propan-2-ylamino)benzamide
CID 63355740
3-(1,1-difluoropropan-2-ylamino)-4-fluorobenzamide
CID 102868551
2-(methylamino)pyridine-4-carboxamide
CID 45084294
4-amino-3-(3-iodoanilino)benzamide
CID 63355912

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3-(methylamino)benzamide?
The IUPAC name of 4-iodo-3-(methylamino)benzamide (CID 131403520) is 4-iodo-3-(methylamino)benzamide.
What is the SMILES notation for 4-iodo-3-(methylamino)benzamide?
The canonical SMILES for 4-iodo-3-(methylamino)benzamide is CNc1cc(C(N)=O)ccc1I.
What is the InChIKey of 4-iodo-3-(methylamino)benzamide?
The InChIKey is HBDHDDVQDPDOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O/c1-11-7-4-5(8(10)12)2-3-6(7)9/h2-4,11H,1H3,(H2,10,12).
What are the key properties of 4-iodo-3-(methylamino)benzamide?
4-iodo-3-(methylamino)benzamide has a molecular weight of 276.08 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3-(methylamino)benzamide is sourced from PubChem (CID 131403520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).