N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide

C16H24FN3O — CID 61444129

IUPACN-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1N)CC1CCCCC1
InChIInChI=1S/C16H24FN3O/c1-20(10-12-5-3-2-4-6-12)11-16(21)19-15-8-7-13(17)9-14(15)18/h7-9,12H,2-6,10-11,18H2,1H3,(H,19,21)
InChIKeyGHFUYTOSXXWJKA-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.86
Rot. Bonds5

About N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide

N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide (PubChem CID 61444129) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
PubChem CID61444129
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1N)CC1CCCCC1
InChIInChI=1S/C16H24FN3O/c1-20(10-12-5-3-2-4-6-12)11-16(21)19-15-8-7-13(17)9-14(15)18/h7-9,12H,2-6,10-11,18H2,1H3,(H,19,21)
InChIKeyGHFUYTOSXXWJKA-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[cyclohexylmethyl(methyl)amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 8550278
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972
N-(2-amino-4-fluorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63957144
N-(2-amino-4-fluorophenyl)-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 54879385
N-(2,4-difluorophenyl)-2-[methyl(oxan-2-ylmethyl)amino]acetamide
CID 86825234
N-(2-aminophenyl)-2-[cyclopropylmethyl(methyl)amino]acetamide
CID 54884484
N-(3-amino-4-chlorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide
CID 61443934
N-(4-amino-2-methoxyphenyl)-2-[cyclobutylmethyl(methyl)amino]acetamide
CID 62861269
2-[cycloheptyl(methyl)amino]-N-(2,5-difluorophenyl)acetamide
CID 16577767
2-[cyclopentylmethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanone
CID 63630556
N-(2-amino-4-fluorophenyl)-2-[methyl-(2-methyloxolan-3-yl)amino]acetamide
CID 82732986
N-(2-amino-4-fluorophenyl)-2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]acetamide
CID 62885358

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide (CID 61444129) is N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide is CN(CC(=O)Nc1ccc(F)cc1N)CC1CCCCC1.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide?
The InChIKey is GHFUYTOSXXWJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-20(10-12-5-3-2-4-6-12)11-16(21)19-15-8-7-13(17)9-14(15)18/h7-9,12H,2-6,10-11,18H2,1H3,(H,19,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide?
N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-[cyclohexylmethyl(methyl)amino]acetamide is sourced from PubChem (CID 61444129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).