4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide

C19H20INO2 — CID 100542760

IUPAC4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccc(I)cc1
InChIInChI=1S/C19H20INO2/c20-17-8-6-15(7-9-17)18(22)21-14-19(10-12-23-13-11-19)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,22)
InChIKeyCOKXEOBUSBHKFD-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.77
Rot. Bonds4

About 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide

4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide (PubChem CID 100542760) has the molecular formula C19H20INO2 and a molecular weight of 421.28 g/mol. Its IUPAC name is 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
PubChem CID100542760
Molecular FormulaC19H20INO2
Molecular Weight421.28 g/mol
Exact Mass421.05
IUPAC Name4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
SMILESO=C(NCC1(c2ccccc2)CCOCC1)c1ccc(I)cc1
InChIInChI=1S/C19H20INO2/c20-17-8-6-15(7-9-17)18(22)21-14-19(10-12-23-13-11-19)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,22)
InChIKeyCOKXEOBUSBHKFD-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.77
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

3-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100514729
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
N-[[(4S)-4-phenyloxepan-4-yl]methyl]-4-(trifluoromethyl)benzamide
CID 95100724
3,4-difluoro-N-[[(4R)-4-phenyloxepan-4-yl]methyl]benzamide
CID 95100723
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 55658448
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
4-phenyl-N-[(4-phenyloxan-4-yl)methyl]oxane-4-carboxamide
CID 1082209
4-phenyl-N-[(4-thiophen-2-yloxan-4-yl)methyl]benzamide
CID 30943798
N'-[(4-phenyloxan-4-yl)methyl]-N-propyloxamide
CID 27451627
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100587049
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 100535416
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The IUPAC name of 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide (CID 100542760) is 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide.
What is the SMILES notation for 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The canonical SMILES for 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide is O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(I)cc1.
What is the InChIKey of 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide?
The InChIKey is COKXEOBUSBHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20INO2/c20-17-8-6-15(7-9-17)18(22)21-14-19(10-12-23-13-11-19)16-4-2-1-3-5-16/h1-9H,10-14H2,(H,21,22).
What are the key properties of 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide?
4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide has a molecular weight of 421.28 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-[(4-phenyloxan-4-yl)methyl]benzamide is sourced from PubChem (CID 100542760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).