4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride

C17H23ClF2N2O2 — CID 68772863

IUPAC4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride
SMILESCl.NCC=C(F)COc1ccc(C(=O)NC2CCCCC2)cc1F
InChIInChI=1S/C17H22F2N2O2.ClH/c18-13(8-9-20)11-23-16-7-6-12(10-15(16)19)17(22)21-14-4-2-1-3-5-14;/h6-8,10,14H,1-5,9,11,20H2,(H,21,22);1H
InChIKeyQHTFPIZHVXWLGD-UHFFFAOYSA-N
MW360.83 g/mol
LogP3.50
Rot. Bonds6

About 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride

4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride (PubChem CID 68772863) has the molecular formula C17H23ClF2N2O2 and a molecular weight of 360.83 g/mol. Its IUPAC name is 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride.

Molecular Properties

Compound Name4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride
PubChem CID68772863
Molecular FormulaC17H23ClF2N2O2
Molecular Weight360.83 g/mol
Exact Mass360.14
IUPAC Name4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride
SMILESCl.NCC=C(F)COc1ccc(C(=O)NC2CCCCC2)cc1F
InChIInChI=1S/C17H22F2N2O2.ClH/c18-13(8-9-20)11-23-16-7-6-12(10-15(16)19)17(22)21-14-4-2-1-3-5-14;/h6-8,10,14H,1-5,9,11,20H2,(H,21,22);1H
InChIKeyQHTFPIZHVXWLGD-UHFFFAOYSA-N
XLogP3.50
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.83
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 57445692
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N-cyclopentyl-4-fluoro-3-methoxybenzamide
CID 80948074
N-cyclohexyl-3,4-diethoxybenzamide
CID 917356
3-amino-N-cyclopentyl-4-(2,2,2-trifluoroethoxy)benzamide
CID 171933201
[2-(cyclohexylamino)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7522935
3-amino-N-cyclohexyl-4-ethoxybenzamide
CID 28689929
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
N-cycloheptyl-3-ethoxy-4-methoxybenzamide
CID 24539374
N-cyclohexyl-3-ethoxy-4-methoxybenzamide
CID 2992515
4-[(Z)-4-amino-2-fluoro-3-methylbut-2-enoxy]-N-cyclohexylbenzamide;hydrochloride
CID 68772250

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride?
The IUPAC name of 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride (CID 68772863) is 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride.
What is the SMILES notation for 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride?
The canonical SMILES for 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride is Cl.NCC=C(F)COc1ccc(C(=O)NC2CCCCC2)cc1F.
What is the InChIKey of 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride?
The InChIKey is QHTFPIZHVXWLGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2.ClH/c18-13(8-9-20)11-23-16-7-6-12(10-15(16)19)17(22)21-14-4-2-1-3-5-14;/h6-8,10,14H,1-5,9,11,20H2,(H,21,22);1H.
What are the key properties of 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride?
4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride has a molecular weight of 360.83 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorobut-2-enoxy)-N-cyclohexyl-3-fluorobenzamide;hydrochloride is sourced from PubChem (CID 68772863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).