3-chloro-N-(4-iodo-3-methylphenyl)benzamide

C14H11ClINO — CID 1340030

IUPAC3-chloro-N-(4-iodo-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)ccc1I
InChIInChI=1S/C14H11ClINO/c1-9-7-12(5-6-13(9)16)17-14(18)10-3-2-4-11(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyGTXDDMQMTSBSNS-UHFFFAOYSA-N
MW371.61 g/mol
LogP4.51
Rot. Bonds2

About 3-chloro-N-(4-iodo-3-methylphenyl)benzamide

3-chloro-N-(4-iodo-3-methylphenyl)benzamide (PubChem CID 1340030) has the molecular formula C14H11ClINO and a molecular weight of 371.61 g/mol. Its IUPAC name is 3-chloro-N-(4-iodo-3-methylphenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-(4-iodo-3-methylphenyl)benzamide
PubChem CID1340030
Molecular FormulaC14H11ClINO
Molecular Weight371.61 g/mol
Exact Mass370.96
IUPAC Name3-chloro-N-(4-iodo-3-methylphenyl)benzamide
SMILESCc1cc(NC(=O)c2cccc(Cl)c2)ccc1I
InChIInChI=1S/C14H11ClINO/c1-9-7-12(5-6-13(9)16)17-14(18)10-3-2-4-11(15)8-10/h2-8H,1H3,(H,17,18)
InChIKeyGTXDDMQMTSBSNS-UHFFFAOYSA-N
XLogP4.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-(3-chlorophenyl)-3-iodo-4-methylbenzamide
CID 1014193
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
3-chloro-N-(3-methylphenyl)benzamide
CID 722373
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-[4-(3-hydroxyprop-1-ynyl)-3-methylphenyl]benzamide
CID 60804162
3-chloro-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]benzamide
CID 46485899
[5-[(3-chlorobenzoyl)amino]-2-methylphenyl] 3-chlorobenzoate
CID 67213098
3,5-dichloro-N-(3-iodo-4-methylphenyl)benzamide
CID 7925565
3-chloro-N-pyridin-4-ylbenzamide
CID 849128
3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604388

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-iodo-3-methylphenyl)benzamide?
The IUPAC name of 3-chloro-N-(4-iodo-3-methylphenyl)benzamide (CID 1340030) is 3-chloro-N-(4-iodo-3-methylphenyl)benzamide.
What is the SMILES notation for 3-chloro-N-(4-iodo-3-methylphenyl)benzamide?
The canonical SMILES for 3-chloro-N-(4-iodo-3-methylphenyl)benzamide is Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1I.
What is the InChIKey of 3-chloro-N-(4-iodo-3-methylphenyl)benzamide?
The InChIKey is GTXDDMQMTSBSNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClINO/c1-9-7-12(5-6-13(9)16)17-14(18)10-3-2-4-11(15)8-10/h2-8H,1H3,(H,17,18).
What are the key properties of 3-chloro-N-(4-iodo-3-methylphenyl)benzamide?
3-chloro-N-(4-iodo-3-methylphenyl)benzamide has a molecular weight of 371.61 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-iodo-3-methylphenyl)benzamide is sourced from PubChem (CID 1340030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).