N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide

C14H18ClIN2O — CID 103807257

IUPACN-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
SMILESNCC1CCCCC1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C14H18ClIN2O/c15-10-5-6-12(16)11(7-10)14(19)18-13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4,8,17H2,(H,18,19)
InChIKeyCGXBTOJCAKMBGV-UHFFFAOYSA-N
MW392.67 g/mol
LogP3.19
Rot. Bonds3

About N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide

N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide (PubChem CID 103807257) has the molecular formula C14H18ClIN2O and a molecular weight of 392.67 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
PubChem CID103807257
Molecular FormulaC14H18ClIN2O
Molecular Weight392.67 g/mol
Exact Mass392.02
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide
SMILESNCC1CCCCC1NC(=O)c1cc(Cl)ccc1I
InChIInChI=1S/C14H18ClIN2O/c15-10-5-6-12(16)11(7-10)14(19)18-13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4,8,17H2,(H,18,19)
InChIKeyCGXBTOJCAKMBGV-UHFFFAOYSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.67
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[2-(aminomethyl)cyclohexyl]-5-chloro-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

5-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-iodobenzamide
CID 104927151
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
CID 119612061
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
5-chloro-2-iodo-N-(2-methylpiperidin-3-yl)benzamide
CID 106813444
N-[2-(aminomethyl)cyclopentyl]-2-chloro-4,5-difluorobenzamide
CID 119603606
N-[2-(aminomethyl)cyclohexyl]-4-bromo-2-chlorobenzamide;hydrochloride
CID 119612232
N-[2-(aminomethyl)cyclohexyl]-2,5-dihydroxybenzamide
CID 107725193
N-[2-(aminomethyl)cyclopentyl]-2,3,4-trifluorobenzamide
CID 79749551
5-chloro-N-[2-(chloromethyl)cyclopentyl]-2-fluorobenzamide
CID 106366136
N-[2-(aminomethyl)cyclohexyl]-2-iodo-3-methylbenzamide;hydrochloride
CID 119610198
N-[2-(aminomethyl)cyclohexyl]-2,4-dibromobenzamide
CID 107940016
N-[2-(aminomethyl)cyclohexyl]-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119610668

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide (CID 103807257) is N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide is NCC1CCCCC1NC(=O)c1cc(Cl)ccc1I.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide?
The InChIKey is CGXBTOJCAKMBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClIN2O/c15-10-5-6-12(16)11(7-10)14(19)18-13-4-2-1-3-9(13)8-17/h5-7,9,13H,1-4,8,17H2,(H,18,19).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide?
N-[2-(aminomethyl)cyclohexyl]-5-chloro-2-iodobenzamide has a molecular weight of 392.67 g/mol, XLogP of 3.19, 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]-5-chloro-2-iodobenzamide is sourced from PubChem (CID 103807257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).