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

C14H18FIN2O — CID 119612061

IUPACN-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
SMILESNCC1CCCCC1NC(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C14H18FIN2O/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)
InChIKeyNDHWIVJFOCVFER-UHFFFAOYSA-N
MW376.21 g/mol
LogP2.68
Rot. Bonds3

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

N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide (PubChem CID 119612061) has the molecular formula C14H18FIN2O and a molecular weight of 376.21 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
PubChem CID119612061
Molecular FormulaC14H18FIN2O
Molecular Weight376.21 g/mol
Exact Mass376.04
IUPAC NameN-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide
SMILESNCC1CCCCC1NC(=O)c1ccc(I)c(F)c1
InChIInChI=1S/C14H18FIN2O/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)
InChIKeyNDHWIVJFOCVFER-UHFFFAOYSA-N
XLogP2.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.21
LogP ≤ 52.68
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-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide;hydrochloride
CID 119612060
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
4-amino-N-(2-ethylcyclohexyl)-3-fluorobenzamide
CID 62680797
N-[2-(aminomethyl)cyclohexyl]-5-iodothiophene-3-carboxamide
CID 79692726
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]benzamide
CID 94903786
N-[2-(aminomethyl)cyclohexyl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 119612158
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-3-(carbamoylamino)benzamide
CID 119601722
N-[2-(aminomethyl)cyclohexyl]-4-(trifluoromethylsulfanyl)benzamide
CID 119611041

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide (CID 119612061) is N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide is NCC1CCCCC1NC(=O)c1ccc(I)c(F)c1.
What is the InChIKey of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide?
The InChIKey is NDHWIVJFOCVFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FIN2O/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).
What are the key properties of N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide?
N-[2-(aminomethyl)cyclohexyl]-3-fluoro-4-iodobenzamide has a molecular weight of 376.21 g/mol, XLogP of 2.68, 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 is sourced from PubChem (CID 119612061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).