N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride

C14H20ClFN2O2 — CID 119475803

IUPACN-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
SMILESCOc1cccc(F)c1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-19-12-4-2-3-11(15)13(12)14(18)17-10-7-5-9(16)6-8-10;/h2-4,9-10H,5-8,16H2,1H3,(H,17,18);1H
InChIKeyAPSSINIVBASOKE-UHFFFAOYSA-N
MW302.78 g/mol
LogP2.26
Rot. Bonds3

About N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride

N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride (PubChem CID 119475803) has the molecular formula C14H20ClFN2O2 and a molecular weight of 302.78 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
PubChem CID119475803
Molecular FormulaC14H20ClFN2O2
Molecular Weight302.78 g/mol
Exact Mass302.12
IUPAC NameN-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride
SMILESCOc1cccc(F)c1C(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C14H19FN2O2.ClH/c1-19-12-4-2-3-11(15)13(12)14(18)17-10-7-5-9(16)6-8-10;/h2-4,9-10H,5-8,16H2,1H3,(H,17,18);1H
InChIKeyAPSSINIVBASOKE-UHFFFAOYSA-N
XLogP2.26
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.78
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromocyclohexyl)-2-fluoro-6-methoxybenzamide
CID 114309013
N-[(4-aminocyclohexyl)methyl]-2-fluoro-6-methoxybenzamide
CID 106124687
cis-(1S,3R)-3-[(2-fluoro-6-methoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675723
N-(azepan-4-yl)-2-fluoro-6-methoxybenzamide
CID 105059143
N-[(1S,2S)-2-aminocyclopentyl]-2-fluoro-6-methoxybenzamide
CID 118308174
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
1-cyclopropyl-3-(2-fluoro-6-methoxyphenyl)urea
CID 126785956
2-bromo-N-cyclopropyl-6-methoxybenzamide
CID 171934573
2-[cyclopropylmethyl-[3-[(2-fluoro-6-methoxybenzoyl)amino]cyclobutyl]amino]acetic acid
CID 129008340
N-(4-aminocyclohexyl)-3-methoxy-4-methylbenzamide;hydrochloride
CID 119474495
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 104917472
N-[2-(cycloheptylamino)ethyl]-2-fluoro-6-methoxybenzamide
CID 119619869

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride (CID 119475803) is N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride is COc1cccc(F)c1C(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride?
The InChIKey is APSSINIVBASOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2.ClH/c1-19-12-4-2-3-11(15)13(12)14(18)17-10-7-5-9(16)6-8-10;/h2-4,9-10H,5-8,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride?
N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride has a molecular weight of 302.78 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-fluoro-6-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119475803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).