2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide

C14H19FN2O — CID 62072600

IUPAC2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1N)C1CCCCC1
InChIInChI=1S/C14H19FN2O/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(15)9-13(12)16/h7-9,11H,2-6,16H2,1H3
InChIKeyIRESUSVISAHYDJ-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.81
Rot. Bonds2

About 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide

2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide (PubChem CID 62072600) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
PubChem CID62072600
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(F)cc1N)C1CCCCC1
InChIInChI=1S/C14H19FN2O/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(15)9-13(12)16/h7-9,11H,2-6,16H2,1H3
InChIKeyIRESUSVISAHYDJ-UHFFFAOYSA-N
XLogP2.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cycloheptyl-4-fluoro-N,2-dimethylbenzamide
CID 113268593
N-cyclobutyl-4-fluoro-N,2-dimethylbenzamide
CID 115745905
2-amino-N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzamide
CID 63110270
2-amino-N-(cyclobutylmethyl)-4-fluoro-N-methylbenzamide
CID 63110420
5-amino-N-cyclohexyl-2-fluoro-N-methylbenzamide
CID 43510713
5-amino-N-cyclopentyl-2,4-difluoro-N-methylbenzamide
CID 61093983
2-amino-N-cyclobutyl-N-methylbenzamide
CID 115747527
4-chloro-N-cycloheptyl-2-fluoro-N-methylbenzamide
CID 112805278
2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
2-amino-4-bromo-N-cyclopropyl-N-methylbenzamide
CID 79714357
2-amino-5-chloro-N-cyclohexyl-N-methylbenzamide
CID 16781756
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide (CID 62072600) is 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide is CN(C(=O)c1ccc(F)cc1N)C1CCCCC1.
What is the InChIKey of 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide?
The InChIKey is IRESUSVISAHYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-17(11-5-3-2-4-6-11)14(18)12-8-7-10(15)9-13(12)16/h7-9,11H,2-6,16H2,1H3.
What are the key properties of 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide?
2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide has a molecular weight of 250.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexyl-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 62072600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).