N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide

C16H15FINO2 — CID 60794861

IUPACN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C16H15FINO2/c1-10(14-9-12(17)6-7-15(14)21-2)19-16(20)11-4-3-5-13(18)8-11/h3-10H,1-2H3,(H,19,20)
InChIKeyQRCRPAAGXUPURQ-UHFFFAOYSA-N
MW399.20 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide

N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide (PubChem CID 60794861) has the molecular formula C16H15FINO2 and a molecular weight of 399.20 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
PubChem CID60794861
Molecular FormulaC16H15FINO2
Molecular Weight399.20 g/mol
Exact Mass399.01
IUPAC NameN-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide
SMILESCOc1ccc(F)cc1C(C)NC(=O)c1cccc(I)c1
InChIInChI=1S/C16H15FINO2/c1-10(14-9-12(17)6-7-15(14)21-2)19-16(20)11-4-3-5-13(18)8-11/h3-10H,1-2H3,(H,19,20)
InChIKeyQRCRPAAGXUPURQ-UHFFFAOYSA-N
XLogP3.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.20
LogP ≤ 53.93
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-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 7719108
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794723
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 51212297
N-[1-(2,5-dimethoxyphenyl)ethyl]-3-fluorobenzamide
CID 2918181
3-fluoro-4-methoxy-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 27787598
2-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]benzamide
CID 60794579
3-iodo-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 46467235
6-fluoro-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 115497321
6-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 66463904
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
3-iodo-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 2236745
N-[1-(2,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 42907068

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide?
The IUPAC name of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide (CID 60794861) is N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide.
What is the SMILES notation for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide?
The canonical SMILES for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide is COc1ccc(F)cc1C(C)NC(=O)c1cccc(I)c1.
What is the InChIKey of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide?
The InChIKey is QRCRPAAGXUPURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FINO2/c1-10(14-9-12(17)6-7-15(14)21-2)19-16(20)11-4-3-5-13(18)8-11/h3-10H,1-2H3,(H,19,20).
What are the key properties of N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide?
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide has a molecular weight of 399.20 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-methoxyphenyl)ethyl]-3-iodobenzamide is sourced from PubChem (CID 60794861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).