N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride

C15H21Cl2N3O2 — CID 119276950

IUPACN-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-10(20)18-13-6-5-11(9-12(13)16)19-14(21)15(17)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyWEASVYCGHTYJQM-UHFFFAOYSA-N
MW346.26 g/mol
LogP3.32
Rot. Bonds3

About N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride

N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride (PubChem CID 119276950) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
PubChem CID119276950
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC NameN-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
SMILESCC(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl.Cl
InChIInChI=1S/C15H20ClN3O2.ClH/c1-10(20)18-13-6-5-11(9-12(13)16)19-14(21)15(17)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,17H2,1H3,(H,18,20)(H,19,21);1H
InChIKeyWEASVYCGHTYJQM-UHFFFAOYSA-N
XLogP3.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride (CID 119276950) is N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride is CC(=O)Nc1ccc(NC(=O)C2(N)CCCCC2)cc1Cl.Cl.
What is the InChIKey of N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
The InChIKey is WEASVYCGHTYJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2.ClH/c1-10(20)18-13-6-5-11(9-12(13)16)19-14(21)15(17)7-3-2-4-8-15;/h5-6,9H,2-4,7-8,17H2,1H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride?
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride has a molecular weight of 346.26 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119276950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).