4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride

C18H28ClFN2O — CID 120561267

IUPAC4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-14(20)5-10-17(22)21-13-18(11-3-2-4-12-18)15-6-8-16(19)9-7-15;/h6-9,14H,2-5,10-13,20H2,1H3,(H,21,22);1H
InChIKeyJQCQUVDENNEXNL-UHFFFAOYSA-N
MW342.89 g/mol
LogP3.69
Rot. Bonds6

About 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride

4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride (PubChem CID 120561267) has the molecular formula C18H28ClFN2O and a molecular weight of 342.89 g/mol. Its IUPAC name is 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
PubChem CID120561267
Molecular FormulaC18H28ClFN2O
Molecular Weight342.89 g/mol
Exact Mass342.19
IUPAC Name4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride
SMILESCC(N)CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1.Cl
InChIInChI=1S/C18H27FN2O.ClH/c1-14(20)5-10-17(22)21-13-18(11-3-2-4-12-18)15-6-8-16(19)9-7-15;/h6-9,14H,2-5,10-13,20H2,1H3,(H,21,22);1H
InChIKeyJQCQUVDENNEXNL-UHFFFAOYSA-N
XLogP3.69
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.89
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[[1-(4-fluorophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561735
4-amino-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]pentanamide
CID 120561270
4-amino-N-[[1-(4-bromophenyl)cyclobutyl]methyl]pentanamide;hydrochloride
CID 120561083
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]butanamide
CID 119731231
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-propan-2-yloxypropanamide
CID 86994816
3-ethoxy-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]propanamide
CID 56500429
4-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pentanamide;hydrochloride
CID 120560680
4-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]pentanamide;hydrochloride
CID 120559506
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
(2R)-2-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 119293598
4-amino-N-[(4-phenyloxan-4-yl)methyl]pentanamide
CID 120560576

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride (CID 120561267) is 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride is CC(N)CCC(=O)NCC1(c2ccc(F)cc2)CCCCC1.Cl.
What is the InChIKey of 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride?
The InChIKey is JQCQUVDENNEXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O.ClH/c1-14(20)5-10-17(22)21-13-18(11-3-2-4-12-18)15-6-8-16(19)9-7-15;/h6-9,14H,2-5,10-13,20H2,1H3,(H,21,22);1H.
What are the key properties of 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride?
4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride has a molecular weight of 342.89 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pentanamide;hydrochloride is sourced from PubChem (CID 120561267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).