5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide

C16H23FN2O — CID 103296058

IUPAC5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide
SMILESCc1cc(N)cc(C(=O)N(C)C2CCC(C)CC2)c1F
InChIInChI=1S/C16H23FN2O/c1-10-4-6-13(7-5-10)19(3)16(20)14-9-12(18)8-11(2)15(14)17/h8-10,13H,4-7,18H2,1-3H3
InChIKeyKPGWOXCJLLQVHI-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.37
Rot. Bonds2

About 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide

5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide (PubChem CID 103296058) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide
PubChem CID103296058
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide
SMILESCc1cc(N)cc(C(=O)N(C)C2CCC(C)CC2)c1F
InChIInChI=1S/C16H23FN2O/c1-10-4-6-13(7-5-10)19(3)16(20)14-9-12(18)8-11(2)15(14)17/h8-10,13H,4-7,18H2,1-3H3
InChIKeyKPGWOXCJLLQVHI-UHFFFAOYSA-N
XLogP3.37
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.37
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

5-amino-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N,3-dimethylbenzamide
CID 103295992
5-amino-2-fluoro-N-(2-hydroxycyclohexyl)-N,3-dimethylbenzamide
CID 103296931
5-amino-2-fluoro-N-methoxy-N,3-dimethylbenzamide
CID 103295990
5-amino-N-(cyclobutylmethyl)-2-fluoro-N,3-dimethylbenzamide
CID 103296416
N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
CID 81480735
5-amino-2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-N,3-dimethylbenzamide
CID 103296926
N-cyclopropyl-4-fluoro-N,2-dimethylbenzamide
CID 115745650
5-amino-N,N-diethyl-2-fluoro-3-methylbenzamide
CID 103295681
5-amino-N-cyclopentyl-N,2-dimethylbenzamide
CID 61291157
5-amino-2-fluoro-N,3-dimethyl-N-pentan-2-ylbenzamide
CID 103295951
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
CID 61093784

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide (CID 103296058) is 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide is Cc1cc(N)cc(C(=O)N(C)C2CCC(C)CC2)c1F.
What is the InChIKey of 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide?
The InChIKey is KPGWOXCJLLQVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-10-4-6-13(7-5-10)19(3)16(20)14-9-12(18)8-11(2)15(14)17/h8-10,13H,4-7,18H2,1-3H3.
What are the key properties of 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide?
5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide has a molecular weight of 278.37 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N,3-dimethyl-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 103296058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).