3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide

C14H12ClIN2O — CID 107624186

IUPAC3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C14H12ClIN2O/c1-8-10(3-2-4-12(8)17)14(19)18-13-6-5-9(15)7-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHUCOCGTWHYISSQ-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.09
Rot. Bonds2

About 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide

3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide (PubChem CID 107624186) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
PubChem CID107624186
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC Name3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1ccc(Cl)cc1I
InChIInChI=1S/C14H12ClIN2O/c1-8-10(3-2-4-12(8)17)14(19)18-13-6-5-9(15)7-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyHUCOCGTWHYISSQ-UHFFFAOYSA-N
XLogP4.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.62
LogP ≤ 54.09
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

3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
CID 23464406
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
N-(4-chloro-2-iodophenyl)-2,3-difluorobenzamide
CID 103766879
2,3-dichloro-N-(4-chloro-2-iodophenyl)benzamide
CID 103766641
N-(4-chloro-2-iodophenyl)-2,3-dihydroxybenzamide
CID 107626246
N-(2-amino-5-chlorophenyl)-3-chloro-2-methylbenzamide
CID 107095714
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
N-(4-chloro-2-iodophenyl)-2-ethylbenzamide
CID 113268300
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
2-amino-N-(4-chloro-2-iodophenyl)-5-fluorobenzamide
CID 107624102
N-(4-chloro-2-iodophenyl)-2,4-dimethylbenzamide
CID 113257834
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide (CID 107624186) is 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)Nc1ccc(Cl)cc1I.
What is the InChIKey of 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide?
The InChIKey is HUCOCGTWHYISSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c1-8-10(3-2-4-12(8)17)14(19)18-13-6-5-9(15)7-11(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide?
3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide has a molecular weight of 386.62 g/mol, XLogP of 4.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide is sourced from PubChem (CID 107624186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).