N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride

C15H21ClFN3O2 — CID 119705036

IUPACN-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-9(20)18-12-5-6-13(16)14(8-12)19-15(21)10-3-2-4-11(17)7-10;/h5-6,8,10-11H,2-4,7,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyUNDNZHFJXLRQLW-UHFFFAOYSA-N
MW329.80 g/mol
LogP2.66
Rot. Bonds3

About N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride

N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride (PubChem CID 119705036) has the molecular formula C15H21ClFN3O2 and a molecular weight of 329.80 g/mol. Its IUPAC name is N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
PubChem CID119705036
Molecular FormulaC15H21ClFN3O2
Molecular Weight329.80 g/mol
Exact Mass329.13
IUPAC NameN-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(F)c(NC(=O)C2CCCC(N)C2)c1.Cl
InChIInChI=1S/C15H20FN3O2.ClH/c1-9(20)18-12-5-6-13(16)14(8-12)19-15(21)10-3-2-4-11(17)7-10;/h5-6,8,10-11H,2-4,7,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyUNDNZHFJXLRQLW-UHFFFAOYSA-N
XLogP2.66
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.80
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)cyclobutanecarboxamide
CID 46429163
N-(5-acetamido-2-methylphenyl)-3-aminocyclohexane-1-carboxamide
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N-(5-acetamido-2-chlorophenyl)-3-aminocyclohexane-1-carboxamide
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3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
3-amino-N-(4-fluoro-3-methoxyphenyl)cyclohexane-1-carboxamide
CID 114839686
3-amino-N-(2-fluoro-5-nitrophenyl)cyclohexane-1-carboxamide
CID 63042162
3-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119706250
3-amino-N-(2-fluoro-4-methylphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119675270
3-amino-N-(2,4-difluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119673269
3-amino-N-(3-cyano-4-fluorophenyl)cyclohexane-1-carboxamide
CID 63044726
3-amino-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119725765

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride (CID 119705036) is N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride is CC(=O)Nc1ccc(F)c(NC(=O)C2CCCC(N)C2)c1.Cl.
What is the InChIKey of N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride?
The InChIKey is UNDNZHFJXLRQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2.ClH/c1-9(20)18-12-5-6-13(16)14(8-12)19-15(21)10-3-2-4-11(17)7-10;/h5-6,8,10-11H,2-4,7,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride?
N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride has a molecular weight of 329.80 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-fluorophenyl)-3-aminocyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119705036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).