N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride

C18H26ClFN2O — CID 158484291

IUPACN-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride
SMILESCC(=O)N(CC1(F)CCC(N)CC1)C1CC1c1ccccc1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-13(22)21(12-18(19)9-7-15(20)8-10-18)17-11-16(17)14-5-3-2-4-6-14;/h2-6,15-17H,7-12,20H2,1H3;1H
InChIKeyAAMJTPHKFNTNOR-UHFFFAOYSA-N
MW340.87 g/mol
LogP3.42
Rot. Bonds4

About N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride

N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride (PubChem CID 158484291) has the molecular formula C18H26ClFN2O and a molecular weight of 340.87 g/mol. Its IUPAC name is N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride
PubChem CID158484291
Molecular FormulaC18H26ClFN2O
Molecular Weight340.87 g/mol
Exact Mass340.17
IUPAC NameN-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride
SMILESCC(=O)N(CC1(F)CCC(N)CC1)C1CC1c1ccccc1.Cl
InChIInChI=1S/C18H25FN2O.ClH/c1-13(22)21(12-18(19)9-7-15(20)8-10-18)17-11-16(17)14-5-3-2-4-6-14;/h2-6,15-17H,7-12,20H2,1H3;1H
InChIKeyAAMJTPHKFNTNOR-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride?
The IUPAC name of N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride (CID 158484291) is N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride.
What is the SMILES notation for N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride?
The canonical SMILES for N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride is CC(=O)N(CC1(F)CCC(N)CC1)C1CC1c1ccccc1.Cl.
What is the InChIKey of N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride?
The InChIKey is AAMJTPHKFNTNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O.ClH/c1-13(22)21(12-18(19)9-7-15(20)8-10-18)17-11-16(17)14-5-3-2-4-6-14;/h2-6,15-17H,7-12,20H2,1H3;1H.
What are the key properties of N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride?
N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride has a molecular weight of 340.87 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-amino-1-fluorocyclohexyl)methyl]-N-(2-phenylcyclopropyl)acetamide;hydrochloride is sourced from PubChem (CID 158484291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).