1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride

C15H22Cl2N2O2 — CID 119285029

IUPAC1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-2-20-13-7-6-11(10-12(13)16)18-14(19)15(17)8-4-3-5-9-15;/h6-7,10H,2-5,8-9,17H2,1H3,(H,18,19);1H
InChIKeyLGORWDZEBRYZOM-UHFFFAOYSA-N
MW333.26 g/mol
LogP3.76
Rot. Bonds4

About 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride

1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (PubChem CID 119285029) has the molecular formula C15H22Cl2N2O2 and a molecular weight of 333.26 g/mol. Its IUPAC name is 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
PubChem CID119285029
Molecular FormulaC15H22Cl2N2O2
Molecular Weight333.26 g/mol
Exact Mass332.11
IUPAC Name1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
SMILESCCOc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl.Cl
InChIInChI=1S/C15H21ClN2O2.ClH/c1-2-20-13-7-6-11(10-12(13)16)18-14(19)15(17)8-4-3-5-9-15;/h6-7,10H,2-5,8-9,17H2,1H3,(H,18,19);1H
InChIKeyLGORWDZEBRYZOM-UHFFFAOYSA-N
XLogP3.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.26
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride (CID 119285029) is 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is CCOc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl.Cl.
What is the InChIKey of 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is LGORWDZEBRYZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O2.ClH/c1-2-20-13-7-6-11(10-12(13)16)18-14(19)15(17)8-4-3-5-9-15;/h6-7,10H,2-5,8-9,17H2,1H3,(H,18,19);1H.
What are the key properties of 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride?
1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 333.26 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(3-chloro-4-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119285029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).