2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide

C14H18INO2 — CID 103897052

IUPAC2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2(C)CCCOC2)c1I
InChIInChI=1S/C14H18INO2/c1-10-5-3-6-11(12(10)15)13(17)16-14(2)7-4-8-18-9-14/h3,5-6H,4,7-9H2,1-2H3,(H,16,17)
InChIKeyFWUKYCPISFXMPT-UHFFFAOYSA-N
MW359.21 g/mol
LogP2.90
Rot. Bonds2

About 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide

2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide (PubChem CID 103897052) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide.

Molecular Properties

Compound Name2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide
PubChem CID103897052
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide
SMILESCc1cccc(C(=O)NC2(C)CCCOC2)c1I
InChIInChI=1S/C14H18INO2/c1-10-5-3-6-11(12(10)15)13(17)16-14(2)7-4-8-18-9-14/h3,5-6H,4,7-9H2,1-2H3,(H,16,17)
InChIKeyFWUKYCPISFXMPT-UHFFFAOYSA-N
XLogP2.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-methoxy-N-(3-methyloxan-3-yl)benzamide
CID 103899293
4-amino-2-methyl-N-(3-methyloxan-3-yl)benzamide
CID 114113473
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
2-chloro-N-(3-methyloxan-3-yl)furan-3-carboxamide
CID 106812547
5-chloro-2-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 113347966
2-fluoro-N-(3-methyloxolan-3-yl)benzamide
CID 115769256
2,6-dichloro-N-(3-methyloxan-3-yl)pyridine-3-carboxamide
CID 114113552
2-chloro-4,5-difluoro-N-(3-methyloxan-3-yl)benzamide
CID 122159233
3-fluoro-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 103897058
3-amino-N-(3-methyloxan-3-yl)pyridine-4-carboxamide
CID 114114566
2-bromo-4-fluoro-N-(3-methyloxan-3-yl)benzamide
CID 103899264
2-bromo-3-methyl-N-(1-methylcyclopentyl)benzamide
CID 103853566

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide?
The IUPAC name of 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide (CID 103897052) is 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide.
What is the SMILES notation for 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide?
The canonical SMILES for 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide is Cc1cccc(C(=O)NC2(C)CCCOC2)c1I.
What is the InChIKey of 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide?
The InChIKey is FWUKYCPISFXMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-10-5-3-6-11(12(10)15)13(17)16-14(2)7-4-8-18-9-14/h3,5-6H,4,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide?
2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide has a molecular weight of 359.21 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-methyl-N-(3-methyloxan-3-yl)benzamide is sourced from PubChem (CID 103897052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).