N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide

C15H21FN2O2 — CID 102883992

IUPACN-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2N)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-20-10-7-8-11(12(16)9-10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6,17H2,1H3,(H,18,19)
InChIKeyHJIHVNXRWRSRTK-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.22
Rot. Bonds3

About N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide

N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide (PubChem CID 102883992) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide
PubChem CID102883992
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2N)c(F)c1
InChIInChI=1S/C15H21FN2O2/c1-20-10-7-8-11(12(16)9-10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6,17H2,1H3,(H,18,19)
InChIKeyHJIHVNXRWRSRTK-UHFFFAOYSA-N
XLogP2.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(2-hydroxycyclohexyl)-4-methoxybenzamide
CID 103816699
N-(2-aminocyclopropyl)-2-fluoro-4-methoxybenzamide
CID 103804989
cis-(1R,2S)-2-[(2-fluoro-4-methoxybenzoyl)amino]cycloheptane-1-carboxamide
CID 97063399
2-[(2-fluoro-4-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790786
N-(2-bromocyclopentyl)-2-fluoro-4-methoxybenzamide
CID 102883574
N-(2-aminocyclopentyl)-2,4-difluorobenzamide
CID 55169899
N-(2-aminocyclohexyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102885408
2-fluoro-4-methoxy-N-(2-propylcyclopropyl)benzamide
CID 103713574
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102885227
2-fluoro-4-methoxy-N-(3-tricyclo[3.2.1.02,4]octanyl)benzamide
CID 103767118
2-fluoro-N,4-dimethoxybenzamide
CID 103606176

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide?
The IUPAC name of N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide (CID 102883992) is N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide.
What is the SMILES notation for N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide?
The canonical SMILES for N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCCC2N)c(F)c1.
What is the InChIKey of N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide?
The InChIKey is HJIHVNXRWRSRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-10-7-8-11(12(16)9-10)15(19)18-14-6-4-2-3-5-13(14)17/h7-9,13-14H,2-6,17H2,1H3,(H,18,19).
What are the key properties of N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide?
N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocycloheptyl)-2-fluoro-4-methoxybenzamide is sourced from PubChem (CID 102883992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).