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

C14H13IN2O — CID 28977721

IUPAC4-amino-N-(2-iodophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccccc2I)ccc1N
InChIInChI=1S/C14H13IN2O/c1-9-8-10(6-7-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyJCENNMQQLMELOF-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.43
Rot. Bonds2

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

4-amino-N-(2-iodophenyl)-3-methylbenzamide (PubChem CID 28977721) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is 4-amino-N-(2-iodophenyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2-iodophenyl)-3-methylbenzamide
PubChem CID28977721
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name4-amino-N-(2-iodophenyl)-3-methylbenzamide
SMILESCc1cc(C(=O)Nc2ccccc2I)ccc1N
InChIInChI=1S/C14H13IN2O/c1-9-8-10(6-7-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h2-8H,16H2,1H3,(H,17,18)
InChIKeyJCENNMQQLMELOF-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.43
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

3-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881825
4-amino-N-[2-(methoxymethyl)phenyl]-3-methylbenzamide
CID 43701008
4-amino-N-(2-bromophenyl)-3-iodobenzamide
CID 112750750
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931
N-(2-iodophenyl)-3,5-dimethylbenzamide
CID 2118558
4-amino-3-fluoro-N-(2-methylphenyl)benzamide
CID 55102680
3,4-dihydroxy-N-(2-iodophenyl)benzamide
CID 103956209
3-amino-N-(2-iodophenyl)-4-nitrobenzamide
CID 62681027
2-amino-5-hydroxy-N-(2-iodophenyl)benzamide
CID 107073971
4-amino-N-(2,5-dichloro-4-methylphenyl)-3-methylbenzamide
CID 104725697
4-[(2-iodophenyl)carbamoyl]benzoic acid
CID 43386509
N-(2-iodophenyl)-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103997885

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-iodophenyl)-3-methylbenzamide?
The IUPAC name of 4-amino-N-(2-iodophenyl)-3-methylbenzamide (CID 28977721) is 4-amino-N-(2-iodophenyl)-3-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2-iodophenyl)-3-methylbenzamide?
The canonical SMILES for 4-amino-N-(2-iodophenyl)-3-methylbenzamide is Cc1cc(C(=O)Nc2ccccc2I)ccc1N.
What is the InChIKey of 4-amino-N-(2-iodophenyl)-3-methylbenzamide?
The InChIKey is JCENNMQQLMELOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-9-8-10(6-7-12(9)16)14(18)17-13-5-3-2-4-11(13)15/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-N-(2-iodophenyl)-3-methylbenzamide?
4-amino-N-(2-iodophenyl)-3-methylbenzamide has a molecular weight of 352.18 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-iodophenyl)-3-methylbenzamide is sourced from PubChem (CID 28977721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).