N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide

C15H21FN2O2 — CID 65432344

IUPACN-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C15H21FN2O2/c1-20-12-7-5-6-11(16)13(12)14(19)18-15(10-17)8-3-2-4-9-15/h5-7H,2-4,8-10,17H2,1H3,(H,18,19)
InChIKeyHSBJPRXOABWTNI-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.23
Rot. Bonds4

About N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide

N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide (PubChem CID 65432344) has the molecular formula C15H21FN2O2 and a molecular weight of 280.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
PubChem CID65432344
Molecular FormulaC15H21FN2O2
Molecular Weight280.34 g/mol
Exact Mass280.16
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide
SMILESCOc1cccc(F)c1C(=O)NC1(CN)CCCCC1
InChIInChI=1S/C15H21FN2O2/c1-20-12-7-5-6-11(16)13(12)14(19)18-15(10-17)8-3-2-4-9-15/h5-7H,2-4,8-10,17H2,1H3,(H,18,19)
InChIKeyHSBJPRXOABWTNI-UHFFFAOYSA-N
XLogP2.23
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 ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
2-[1-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 65433607
1-[(2-fluoro-6-methoxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 65433406
N-[1-(chloromethyl)cyclohexyl]-2,6-dimethoxybenzamide
CID 114303510
N-[1-(aminomethyl)cyclopentyl]-3-fluorobenzamide
CID 16740505
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-methoxybenzamide
CID 103806873
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethoxy-4-methylbenzamide
CID 119568346
2-fluoro-6-methoxy-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91770086
2-[1-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexyl]acetic acid
CID 107013634
N-[1-(aminomethyl)cyclohexyl]-3,5-difluorobenzamide
CID 63755319
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide (CID 65432344) is N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide is COc1cccc(F)c1C(=O)NC1(CN)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide?
The InChIKey is HSBJPRXOABWTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O2/c1-20-12-7-5-6-11(16)13(12)14(19)18-15(10-17)8-3-2-4-9-15/h5-7H,2-4,8-10,17H2,1H3,(H,18,19).
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide?
N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide has a molecular weight of 280.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-fluoro-6-methoxybenzamide is sourced from PubChem (CID 65432344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).