N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide

C15H21FN2O2 — CID 106124687

IUPACN-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC1CCC(N)CC1
InChIInChI=1S/C15H21FN2O2/c1-20-13-4-2-3-12(16)14(13)15(19)18-9-10-5-7-11(17)8-6-10/h2-4,10-11H,5-9,17H2,1H3,(H,18,19)
InChIKeyXQWKNQANANFGSI-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.08
Rot. Bonds4

About N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide

N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide (PubChem CID 106124687) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
PubChem CID106124687
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NCC1CCC(N)CC1
InChIInChI=1S/C15H21FN2O2/c1-20-13-4-2-3-12(16)14(13)15(19)18-9-10-5-7-11(17)8-6-10/h2-4,10-11H,5-9,17H2,1H3,(H,18,19)
InChIKeyXQWKNQANANFGSI-UHFFFAOYSA-N
XLogP2.08
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-2,6-difluorobenzamide
CID 106124024
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
CID 119475803
2-fluoro-6-methoxy-N-(piperidin-3-ylmethyl)benzamide
CID 65433806
2-fluoro-N-[(2-hydroxycyclohexyl)methyl]-6-methoxybenzamide
CID 65433466
N-[(4-aminocyclohexyl)methyl]-4-fluoro-3-methoxybenzamide
CID 106124416
N-[(3-hydroxycyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 103280759
N-(2-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 81483225
N-[(3-bromocyclopentyl)methyl]-2,6-dimethoxybenzamide
CID 106128032
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869
2-bromo-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 172648060
N-(cyclopropylmethyl)-2-fluoro-6-(trifluoromethyl)benzamide
CID 117063447
2-chloro-N-[(4-chlorocyclohexyl)methyl]-6-fluorobenzamide
CID 114147976

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide (CID 106124687) is N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NCC1CCC(N)CC1.
What is the InChIKey of N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is XQWKNQANANFGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-13-4-2-3-12(16)14(13)15(19)18-9-10-5-7-11(17)8-6-10/h2-4,10-11H,5-9,17H2,1H3,(H,18,19).
What are the key properties of N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide?
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 106124687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).