3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide

C16H15FINO3 — CID 3896701

IUPAC3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(F)cc2)cc(I)c1OC
InChIInChI=1S/C16H15FINO3/c1-3-22-14-9-10(8-13(18)15(14)21-2)16(20)19-12-6-4-11(17)5-7-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyXBDPNNJYVKDQSU-UHFFFAOYSA-N
MW415.20 g/mol
LogP4.09
Rot. Bonds5

About 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide

3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide (PubChem CID 3896701) has the molecular formula C16H15FINO3 and a molecular weight of 415.20 g/mol. Its IUPAC name is 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide
PubChem CID3896701
Molecular FormulaC16H15FINO3
Molecular Weight415.20 g/mol
Exact Mass415.01
IUPAC Name3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(F)cc2)cc(I)c1OC
InChIInChI=1S/C16H15FINO3/c1-3-22-14-9-10(8-13(18)15(14)21-2)16(20)19-12-6-4-11(17)5-7-12/h4-9H,3H2,1-2H3,(H,19,20)
InChIKeyXBDPNNJYVKDQSU-UHFFFAOYSA-N
XLogP4.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.20
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
3,4,5-triethoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478549
N-(3,5-dimethoxyphenyl)-3,4,5-triethoxybenzamide
CID 2182234
3-bromo-4-ethoxy-N-(4-iodophenyl)-5-methoxybenzamide
CID 3348893
N-(2-fluorophenyl)-3-iodo-4,5-dimethoxybenzamide
CID 4552214
N-(4-ethoxyphenyl)-3,5-difluorobenzamide
CID 8745463
3-iodo-4-methoxy-N-(3-methoxyphenyl)-5-phenylmethoxybenzamide
CID 3340832
N-[4-[[(3,4,5-triethoxybenzoyl)amino]carbamoyl]phenyl]benzamide
CID 24658864
N-(4-cyanophenyl)-3,4,5-triethoxybenzamide
CID 1129663
N-[4-(dimethylcarbamoyl)phenyl]-3,4,5-triethoxybenzamide
CID 7944350
N-(2-chlorophenyl)-3,4-diethoxy-5-iodobenzamide
CID 3878206
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide?
The IUPAC name of 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide (CID 3896701) is 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide.
What is the SMILES notation for 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide?
The canonical SMILES for 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide is CCOc1cc(C(=O)Nc2ccc(F)cc2)cc(I)c1OC.
What is the InChIKey of 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide?
The InChIKey is XBDPNNJYVKDQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FINO3/c1-3-22-14-9-10(8-13(18)15(14)21-2)16(20)19-12-6-4-11(17)5-7-12/h4-9H,3H2,1-2H3,(H,19,20).
What are the key properties of 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide?
3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide has a molecular weight of 415.20 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-fluorophenyl)-5-iodo-4-methoxybenzamide is sourced from PubChem (CID 3896701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).