N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide

C15H21FN2O2 — CID 103807666

IUPACN-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCC(N)CC2)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-18(11-5-3-10(17)4-6-11)15(19)13-8-7-12(20-2)9-14(13)16/h7-11H,3-6,17H2,1-2H3
InChIKeyDKCPEIGWXQUJIN-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.18
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide

N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide (PubChem CID 103807666) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
PubChem CID103807666
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C2CCC(N)CC2)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-18(11-5-3-10(17)4-6-11)15(19)13-8-7-12(20-2)9-14(13)16/h7-11H,3-6,17H2,1-2H3
InChIKeyDKCPEIGWXQUJIN-UHFFFAOYSA-N
XLogP2.18
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[2-[(2-fluoro-4-methoxybenzoyl)-methylamino]cyclohexyl]-4-methoxy-N-methylbenzamide
CID 166182143
N-(2-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885408
N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160
2-bromo-N-cyclopropyl-5-methoxy-N-methylbenzamide
CID 55026519
(3-aminocyclopentyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 103397145
N-(4-aminocyclohexyl)-3,4-difluoro-N-methylbenzamide
CID 79121547
N-cyclobutyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940219
N-(4-aminocyclohexyl)-2-fluoro-N,3-dimethylbenzamide
CID 81480735
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-2,4-difluorobenzamide
CID 33078367
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
5-amino-N-cyclopropyl-2,4-difluoro-N-methylbenzamide
CID 61093784
N-(4-aminocyclohexyl)-N,2,5-trimethylbenzamide
CID 79121701

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide (CID 103807666) is N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C2CCC(N)CC2)c(F)c1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide?
The InChIKey is DKCPEIGWXQUJIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-18(11-5-3-10(17)4-6-11)15(19)13-8-7-12(20-2)9-14(13)16/h7-11H,3-6,17H2,1-2H3.
What are the key properties of N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide?
N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide is sourced from PubChem (CID 103807666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).