4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide

C14H17FINO2 — CID 104890921

IUPAC4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc(F)cc1I
InChIInChI=1S/C14H17FINO2/c15-10-3-4-11(12(16)7-10)13(19)17-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9H2,(H,17,19)
InChIKeyMZVVXUKPMFSYHV-UHFFFAOYSA-N
MW377.20 g/mol
LogP2.71
Rot. Bonds4

About 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide

4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide (PubChem CID 104890921) has the molecular formula C14H17FINO2 and a molecular weight of 377.20 g/mol. Its IUPAC name is 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide.

Molecular Properties

Compound Name4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
PubChem CID104890921
Molecular FormulaC14H17FINO2
Molecular Weight377.20 g/mol
Exact Mass377.03
IUPAC Name4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
SMILESO=C(NCC1(CO)CCCC1)c1ccc(F)cc1I
InChIInChI=1S/C14H17FINO2/c15-10-3-4-11(12(16)7-10)13(19)17-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9H2,(H,17,19)
InChIKeyMZVVXUKPMFSYHV-UHFFFAOYSA-N
XLogP2.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.20
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 103830141
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide
CID 113294004
2-amino-4-fluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]benzamide
CID 113313360
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
3,5-difluoro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]benzamide
CID 115701272
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
2-hydroxy-N-[[1-(hydroxymethyl)cyclohexyl]methyl]-5-iodobenzamide
CID 107732018
3-[(4-fluoro-2-iodobenzoyl)amino]propanoic acid
CID 115596361
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-fluoro-2-hydroxybenzamide
CID 107017112
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-fluoro-2-methylbenzamide
CID 113294793

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide?
The IUPAC name of 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide (CID 104890921) is 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide.
What is the SMILES notation for 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide?
The canonical SMILES for 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide is O=C(NCC1(CO)CCCC1)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide?
The InChIKey is MZVVXUKPMFSYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FINO2/c15-10-3-4-11(12(16)7-10)13(19)17-8-14(9-18)5-1-2-6-14/h3-4,7,18H,1-2,5-6,8-9H2,(H,17,19).
What are the key properties of 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide?
4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide has a molecular weight of 377.20 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-iodobenzamide is sourced from PubChem (CID 104890921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).