5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide

C14H19FN2O — CID 43510704

IUPAC5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(16)4-7-13(12)15/h4,7-9,11H,2-3,5-6,16H2,1H3,(H,17,18)
InChIKeyHNHYMXFXETVIIN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.72
Rot. Bonds2

About 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide

5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide (PubChem CID 43510704) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
PubChem CID43510704
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2cc(N)ccc2F)CC1
InChIInChI=1S/C14H19FN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(16)4-7-13(12)15/h4,7-9,11H,2-3,5-6,16H2,1H3,(H,17,18)
InChIKeyHNHYMXFXETVIIN-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-chloro-N-(4-methylcyclohexyl)benzamide
CID 16796108
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
5-amino-2-methoxy-N-(4-methylcyclohexyl)benzamide
CID 28690128
5-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-2-fluorobenzamide
CID 79386437
5-amino-N-(4-methylcyclohexyl)-2-nitrobenzamide
CID 62156540
5-amino-2-fluoro-N-(3-methoxycyclobutyl)benzamide
CID 114118491
5-amino-2-fluoro-N-(2-methyloxolan-3-yl)benzamide
CID 82726014
5-amino-N-(3-ethylcyclohexyl)-2-fluorobenzamide
CID 64748209
5-amino-N-(1,1-dioxothian-3-yl)-2-fluorobenzamide
CID 63924068
2-fluoro-5-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 62515661
5-amino-N-cyclopropyl-2-(propylamino)benzamide
CID 100638190
N-(4-aminocyclohexyl)-2-fluoro-5-methylbenzamide;hydrochloride
CID 119476329

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide (CID 43510704) is 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2cc(N)ccc2F)CC1.
What is the InChIKey of 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide?
The InChIKey is HNHYMXFXETVIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-9-2-5-11(6-3-9)17-14(18)12-8-10(16)4-7-13(12)15/h4,7-9,11H,2-3,5-6,16H2,1H3,(H,17,18).
What are the key properties of 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide?
5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide has a molecular weight of 250.32 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 43510704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).