2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide

C14H18FIN2O — CID 79766274

IUPAC2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide
SMILESNC1(CC(=O)Nc2ccc(F)cc2I)CCCCC1
InChIInChI=1S/C14H18FIN2O/c15-10-4-5-12(11(16)8-10)18-13(19)9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyKYNLWFWZXJXHPG-UHFFFAOYSA-N
MW376.21 g/mol
LogP3.42
Rot. Bonds3

About 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide

2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide (PubChem CID 79766274) has the molecular formula C14H18FIN2O and a molecular weight of 376.21 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide
PubChem CID79766274
Molecular FormulaC14H18FIN2O
Molecular Weight376.21 g/mol
Exact Mass376.04
IUPAC Name2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide
SMILESNC1(CC(=O)Nc2ccc(F)cc2I)CCCCC1
InChIInChI=1S/C14H18FIN2O/c15-10-4-5-12(11(16)8-10)18-13(19)9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19)
InChIKeyKYNLWFWZXJXHPG-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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

2-[[2-(1-aminocyclopentyl)acetyl]amino]-5-fluorobenzoic acid
CID 64677158
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
2-(1-aminocyclopentyl)-N-(2-fluorophenyl)acetamide
CID 64685138
N-(4-fluoro-2-iodophenyl)-2-sulfanylacetamide
CID 79771427
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
CID 107365940
1-[[(4-fluoro-2-iodophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434445
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
2-(1-aminocyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 64685514
1-[(1-aminocyclohexyl)methyl]-3-(2,4-difluorophenyl)urea
CID 61298666
2-(1-aminocyclohexyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 64684367

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide (CID 79766274) is 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide is NC1(CC(=O)Nc2ccc(F)cc2I)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide?
The InChIKey is KYNLWFWZXJXHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FIN2O/c15-10-4-5-12(11(16)8-10)18-13(19)9-14(17)6-2-1-3-7-14/h4-5,8H,1-3,6-7,9,17H2,(H,18,19).
What are the key properties of 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide?
2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide has a molecular weight of 376.21 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide is sourced from PubChem (CID 79766274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).