1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride

C16H24Cl2N2O2 — CID 119335598

IUPAC1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1(N)CCCCC1)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-12(21-14-7-5-13(17)6-8-14)11-19-15(20)16(18)9-3-2-4-10-16;/h5-8,12H,2-4,9-11,18H2,1H3,(H,19,20);1H
InChIKeyOIEKAPUTTRWBOY-UHFFFAOYSA-N
MW347.29 g/mol
LogP3.31
Rot. Bonds5

About 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride

1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119335598) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID119335598
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Name1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCC(CNC(=O)C1(N)CCCCC1)Oc1ccc(Cl)cc1.Cl
InChIInChI=1S/C16H23ClN2O2.ClH/c1-12(21-14-7-5-13(17)6-8-14)11-19-15(20)16(18)9-3-2-4-10-16;/h5-8,12H,2-4,9-11,18H2,1H3,(H,19,20);1H
InChIKeyOIEKAPUTTRWBOY-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-(4-fluorophenoxy)propyl]cyclopentane-1-carboxamide
CID 119335506
1-amino-N-[2-(4-chlorophenyl)-2-methoxyethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119334765
2-amino-N-[2-(4-chlorophenoxy)propyl]acetamide;hydrochloride
CID 119335581
1-amino-N-[(4-chlorophenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119261680
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
4-chloro-N-[2-(4-chlorophenoxy)propyl]benzamide
CID 51065326
N-[(2S)-2-(4-chlorophenoxy)propyl]-1-cyano-3-methylcyclobutane-1-carboxamide
CID 96540222
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
(2S)-2-amino-N-[2-(4-chlorophenoxy)propyl]-3-methylbutanamide
CID 15239278
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 39058425
1-amino-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119317240
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride (CID 119335598) is 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride is CC(CNC(=O)C1(N)CCCCC1)Oc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is OIEKAPUTTRWBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O2.ClH/c1-12(21-14-7-5-13(17)6-8-14)11-19-15(20)16(18)9-3-2-4-10-16;/h5-8,12H,2-4,9-11,18H2,1H3,(H,19,20);1H.
What are the key properties of 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 347.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-chlorophenoxy)propyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119335598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).