N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride

C14H19ClFIN2O — CID 119612060

IUPACN-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C14H18FIN2O.ClH/c15-11-7-9(5-6-12(11)16)14(19)18-13-4-2-1-3-10(13)8-17;/h5-7,10,13H,1-4,8,17H2,(H,18,19);1H
InChIKeyALGCTQSKDGZJNN-UHFFFAOYSA-N
MW412.67 g/mol
LogP3.10
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride

N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride (PubChem CID 119612060) has the molecular formula C14H19ClFIN2O and a molecular weight of 412.67 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
PubChem CID119612060
Molecular FormulaC14H19ClFIN2O
Molecular Weight412.67 g/mol
Exact Mass412.02
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
SMILESCl.NCC1CCCCC1NC(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C14H18FIN2O.ClH/c15-11-7-9(5-6-12(11)16)14(19)18-13-4-2-1-3-10(13)8-17;/h5-7,10,13H,1-4,8,17H2,(H,18,19);1H
InChIKeyALGCTQSKDGZJNN-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.67
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride 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

N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
N-[2-(aminomethyl)cyclohexyl]-3,4,5-trifluorobenzamide;hydrochloride
CID 119612395
N-[2-(aminomethyl)cyclohexyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 119611820
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
CID 103807257
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-4-(3-methylbutanoylamino)benzamide
CID 119600964
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)benzamide;hydrochloride
CID 119609783
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
N-[2-(aminomethyl)cyclopentyl]-5-iodothiophene-3-carboxamide;hydrochloride
CID 119601552

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride (CID 119612060) is N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride is Cl.NCC1CCCCC1NC(=O)c1ccc(I)c(F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride?
The InChIKey is ALGCTQSKDGZJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FIN2O.ClH/c15-11-7-9(5-6-12(11)16)14(19)18-13-4-2-1-3-10(13)8-17;/h5-7,10,13H,1-4,8,17H2,(H,18,19);1H.
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride?
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride has a molecular weight of 412.67 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride is sourced from PubChem (CID 119612060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).