3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide

C13H9Cl2IN2O — CID 61094545

IUPAC3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(I)cc2)cc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2IN2O/c14-10-5-7(6-11(17)12(10)15)13(19)18-9-3-1-8(16)2-4-9/h1-6H,17H2,(H,18,19)
InChIKeyQMAXJWLWFBIEQT-UHFFFAOYSA-N
MW407.04 g/mol
LogP4.43
Rot. Bonds2

About 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide

3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide (PubChem CID 61094545) has the molecular formula C13H9Cl2IN2O and a molecular weight of 407.04 g/mol. Its IUPAC name is 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
PubChem CID61094545
Molecular FormulaC13H9Cl2IN2O
Molecular Weight407.04 g/mol
Exact Mass405.91
IUPAC Name3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide
SMILESNc1cc(C(=O)Nc2ccc(I)cc2)cc(Cl)c1Cl
InChIInChI=1S/C13H9Cl2IN2O/c14-10-5-7(6-11(17)12(10)15)13(19)18-9-3-1-8(16)2-4-9/h1-6H,17H2,(H,18,19)
InChIKeyQMAXJWLWFBIEQT-UHFFFAOYSA-N
XLogP4.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.04
LogP ≤ 54.43
H-Bond Donors ≤ 52
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

4-amino-3,5-dichloro-N-(4-iodophenyl)benzamide
CID 82833125
3-amino-4,5-dichloro-N-phenylbenzamide
CID 61090142
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
3-amino-4,5-dichloro-N-(3-chlorophenyl)benzamide
CID 61090012
3-amino-N-(1,3-benzodioxol-5-yl)-4,5-dichlorobenzamide
CID 61092953
3-amino-N-(5-bromo-2-chlorophenyl)-4,5-dichlorobenzamide
CID 62915199
3-amino-4,5-dichloro-N-(2-methylphenyl)benzamide
CID 61090802
3-amino-4,5-dichloro-N-(2,4,5-trifluorophenyl)benzamide
CID 62815869
3-amino-4,5-dichloro-N-(2,4-difluorophenyl)benzamide
CID 61090403
3-amino-4,5-dichloro-N-(3-ethynylphenyl)benzamide
CID 61117105
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
4-amino-3,5-dichloro-N-(4-hydroxyphenyl)benzamide
CID 82832564

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide?
The IUPAC name of 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide (CID 61094545) is 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide.
What is the SMILES notation for 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide?
The canonical SMILES for 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide is Nc1cc(C(=O)Nc2ccc(I)cc2)cc(Cl)c1Cl.
What is the InChIKey of 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide?
The InChIKey is QMAXJWLWFBIEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2IN2O/c14-10-5-7(6-11(17)12(10)15)13(19)18-9-3-1-8(16)2-4-9/h1-6H,17H2,(H,18,19).
What are the key properties of 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide?
3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide has a molecular weight of 407.04 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,5-dichloro-N-(4-iodophenyl)benzamide is sourced from PubChem (CID 61094545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).