N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride

C13H17ClFIN2O — CID 119567983

IUPACN-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2ccc(I)c(F)c2)CCCC1
InChIInChI=1S/C13H16FIN2O.ClH/c14-10-7-9(3-4-11(10)15)12(18)17-13(8-16)5-1-2-6-13;/h3-4,7H,1-2,5-6,8,16H2,(H,17,18);1H
InChIKeyMVDAGERAEJYVBK-UHFFFAOYSA-N
MW398.65 g/mol
LogP2.85
Rot. Bonds3

About N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride (PubChem CID 119567983) has the molecular formula C13H17ClFIN2O and a molecular weight of 398.65 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride
PubChem CID119567983
Molecular FormulaC13H17ClFIN2O
Molecular Weight398.65 g/mol
Exact Mass398.01
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride
SMILESCl.NCC1(NC(=O)c2ccc(I)c(F)c2)CCCC1
InChIInChI=1S/C13H16FIN2O.ClH/c14-10-7-9(3-4-11(10)15)12(18)17-13(8-16)5-1-2-6-13;/h3-4,7H,1-2,5-6,8,16H2,(H,17,18);1H
InChIKeyMVDAGERAEJYVBK-UHFFFAOYSA-N
XLogP2.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.65
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-3,4-difluorobenzamide;hydrochloride
CID 119567629
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide;hydrochloride
CID 119566431
N-[1-(aminomethyl)cyclopentyl]-4-bromo-3-fluorobenzamide;hydrochloride
CID 119565325
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-methylbenzamide
CID 63754151
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
4-acetyl-N-[1-(aminomethyl)cyclopentyl]benzamide;hydrochloride
CID 119564862
3,4-difluoro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878348
N-[1-(aminomethyl)cyclopentyl]-4-hydroxy-3-methylbenzamide
CID 107672060
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride (CID 119567983) is N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride is Cl.NCC1(NC(=O)c2ccc(I)c(F)c2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride?
The InChIKey is MVDAGERAEJYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FIN2O.ClH/c14-10-7-9(3-4-11(10)15)12(18)17-13(8-16)5-1-2-6-13;/h3-4,7H,1-2,5-6,8,16H2,(H,17,18);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride has a molecular weight of 398.65 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-3-fluoro-4-iodobenzamide;hydrochloride is sourced from PubChem (CID 119567983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).