5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide

C17H24FN3O2 — CID 119589312

IUPAC5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C17H24FN3O2/c1-11(22)20-13-7-8-15(18)14(9-13)17(23)21-16(10-19)12-5-3-2-4-6-12/h7-9,12,16H,2-6,10,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyHKUZXAQGUVIFFN-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.42
Rot. Bonds5

About 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide

5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide (PubChem CID 119589312) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide
PubChem CID119589312
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Name5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide
SMILESCC(=O)Nc1ccc(F)c(C(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C17H24FN3O2/c1-11(22)20-13-7-8-15(18)14(9-13)17(23)21-16(10-19)12-5-3-2-4-6-12/h7-9,12,16H,2-6,10,19H2,1H3,(H,20,22)(H,21,23)
InChIKeyHKUZXAQGUVIFFN-UHFFFAOYSA-N
XLogP2.42
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-fluoro-5-methylbenzamide
CID 65188786
5-acetamido-N-[(2S)-1-aminopropan-2-yl]-2-fluorobenzamide;hydrochloride
CID 120506854
N-(2-amino-1-cyclopentylethyl)-4-fluoro-2-methylbenzamide
CID 106737696
2-[(5-acetamido-2-fluorobenzoyl)amino]cyclooctane-1-carboxylic acid
CID 120532977
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
CID 119614425
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052
N-(2-amino-1-cyclohexylethyl)-2,4,6-trifluorobenzamide
CID 81487271
N-(2-amino-1-cyclopropylethyl)-2-fluorobenzamide
CID 65188796
N-(2-amino-1-cyclopentylethyl)-5-chloro-2-hydroxybenzamide
CID 106737723
N-(2-amino-1-cyclohexylethyl)-2-[(2-fluorobenzoyl)amino]-3-methylbenzamide;hydrochloride
CID 119592070
N-(2-amino-1-cyclopropylethyl)-2,4-difluoro-5-methylbenzamide;hydrochloride
CID 119613251
N-(2-amino-1-cyclopentylethyl)-4-chloro-2-methoxybenzamide
CID 106737554

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide?
The IUPAC name of 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide (CID 119589312) is 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide.
What is the SMILES notation for 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide?
The canonical SMILES for 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide is CC(=O)Nc1ccc(F)c(C(=O)NC(CN)C2CCCCC2)c1.
What is the InChIKey of 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide?
The InChIKey is HKUZXAQGUVIFFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-11(22)20-13-7-8-15(18)14(9-13)17(23)21-16(10-19)12-5-3-2-4-6-12/h7-9,12,16H,2-6,10,19H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide?
5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide has a molecular weight of 321.40 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(2-amino-1-cyclohexylethyl)-2-fluorobenzamide is sourced from PubChem (CID 119589312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).