N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide

C14H12ClIN2O — CID 103807582

IUPACN-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
SMILESCc1cc(N)ccc1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C14H12ClIN2O/c1-8-6-10(17)3-5-13(8)18-14(19)11-7-9(15)2-4-12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyDNJOEKORRQXQSX-UHFFFAOYSA-N
MW386.62 g/mol
LogP4.09
Rot. Bonds2

About N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide

N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide (PubChem CID 103807582) has the molecular formula C14H12ClIN2O and a molecular weight of 386.62 g/mol. Its IUPAC name is N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
PubChem CID103807582
Molecular FormulaC14H12ClIN2O
Molecular Weight386.62 g/mol
Exact Mass385.97
IUPAC NameN-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide
SMILESCc1cc(N)ccc1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C14H12ClIN2O/c1-8-6-10(17)3-5-13(8)18-14(19)11-7-9(15)2-4-12(11)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyDNJOEKORRQXQSX-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

5-chloro-N-(2,4-dimethylphenyl)-2-iodobenzamide
CID 38885805
5-chloro-N-(4-chloro-2-iodophenyl)-2-iodobenzamide
CID 114030741
5-chloro-N-[4-(ethylsulfonylamino)-3-methylphenyl]-2-iodobenzamide
CID 55948329
N-(4-chloro-2-methylphenyl)-2,4,5-trimethylbenzamide
CID 100708233
N-(4-amino-2-methylphenyl)-2,4-difluoro-5-methylbenzamide
CID 115737618
4-amino-2-chloro-N-(4-chloro-2-iodophenyl)benzamide
CID 107624122
N-(4-amino-2-methylphenyl)-2-iodo-3-methylbenzamide
CID 103807583
3,5-diamino-N-(4-chloro-2-methylphenyl)benzamide
CID 61093328
4-amino-2-chloro-N-(5-chloro-2-methylphenyl)benzamide
CID 24689889
1-N-(4-chloro-2-iodophenyl)-2-methylbenzene-1,4-diamine
CID 107634251
5-amino-2-bromo-N-(4-chloro-2-iodophenyl)benzamide
CID 107624145
2-amino-3-chloro-N-(4-chloro-2-methylphenyl)benzamide
CID 82546494

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide?
The IUPAC name of N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide (CID 103807582) is N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide?
The canonical SMILES for N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide is Cc1cc(N)ccc1NC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide?
The InChIKey is DNJOEKORRQXQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2O/c1-8-6-10(17)3-5-13(8)18-14(19)11-7-9(15)2-4-12(11)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide?
N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide 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 N-(4-amino-2-methylphenyl)-5-chloro-2-iodobenzamide is sourced from PubChem (CID 103807582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).