3-anilino-4-iodo-2-methylbenzamide

C14H13IN2O — CID 139928039

IUPAC3-anilino-4-iodo-2-methylbenzamide
SMILESCc1c(C(N)=O)ccc(I)c1Nc1ccccc1
InChIInChI=1S/C14H13IN2O/c1-9-11(14(16)18)7-8-12(15)13(9)17-10-5-3-2-4-6-10/h2-8,17H,1H3,(H2,16,18)
InChIKeyUAYPNYJXBYJZLR-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.44
Rot. Bonds3

About 3-anilino-4-iodo-2-methylbenzamide

3-anilino-4-iodo-2-methylbenzamide (PubChem CID 139928039) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is 3-anilino-4-iodo-2-methylbenzamide.

Molecular Properties

Compound Name3-anilino-4-iodo-2-methylbenzamide
PubChem CID139928039
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC Name3-anilino-4-iodo-2-methylbenzamide
SMILESCc1c(C(N)=O)ccc(I)c1Nc1ccccc1
InChIInChI=1S/C14H13IN2O/c1-9-11(14(16)18)7-8-12(15)13(9)17-10-5-3-2-4-6-10/h2-8,17H,1H3,(H2,16,18)
InChIKeyUAYPNYJXBYJZLR-UHFFFAOYSA-N
XLogP3.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.44
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

2,3-dianilino-5,6-dimethylterephthalic acid
CID 19027235
2-anilino-3,5-dimethylterephthalic acid
CID 88801494
2-iodobenzamide
CID 160670857
3-amino-2-(3-iodo-4-methylanilino)benzamide
CID 114257938
2-(4-anilinophenyl)benzamide
CID 174939572
3-[(2-anilino-2-oxoethyl)amino]-2-methylbenzamide
CID 60537419
3-fluoro-2-(4-iodoanilino)benzamide
CID 175969142
2-[[(2R)-butan-2-yl]amino]-3-methylbenzene-1,4-dicarboxamide
CID 140538451
2-amino-3-(2-iodoanilino)benzamide
CID 113332546
1-(1-anilinonaphthalen-2-yl)ethanone
CID 12580778
3-fluoro-2,4-dimethylbenzamide
CID 119006165
2,3,4-trimethylbenzamide;hydrochloride
CID 67157686

Frequently Asked Questions

What is the IUPAC name of 3-anilino-4-iodo-2-methylbenzamide?
The IUPAC name of 3-anilino-4-iodo-2-methylbenzamide (CID 139928039) is 3-anilino-4-iodo-2-methylbenzamide.
What is the SMILES notation for 3-anilino-4-iodo-2-methylbenzamide?
The canonical SMILES for 3-anilino-4-iodo-2-methylbenzamide is Cc1c(C(N)=O)ccc(I)c1Nc1ccccc1.
What is the InChIKey of 3-anilino-4-iodo-2-methylbenzamide?
The InChIKey is UAYPNYJXBYJZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-9-11(14(16)18)7-8-12(15)13(9)17-10-5-3-2-4-6-10/h2-8,17H,1H3,(H2,16,18).
What are the key properties of 3-anilino-4-iodo-2-methylbenzamide?
3-anilino-4-iodo-2-methylbenzamide has a molecular weight of 352.18 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-iodo-2-methylbenzamide is sourced from PubChem (CID 139928039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).