N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride

C25H32Cl2N2O2 — CID 3053911

IUPACN-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride
SMILESCC(C)N(CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C25H31ClN2O2.ClH/c1-18(2)28(21-12-8-5-9-13-21)17-24(29)27(3)23-15-14-20(26)16-22(23)25(30)19-10-6-4-7-11-19;/h4,6-7,10-11,14-16,18,21H,5,8-9,12-13,17H2,1-3H3;1H
InChIKeyMTFPAWHBWABSHJ-UHFFFAOYSA-N
MW463.45 g/mol
LogP6.00
Rot. Bonds7

About N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride

N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride (PubChem CID 3053911) has the molecular formula C25H32Cl2N2O2 and a molecular weight of 463.45 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride
PubChem CID3053911
Molecular FormulaC25H32Cl2N2O2
Molecular Weight463.45 g/mol
Exact Mass462.18
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride
SMILESCC(C)N(CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1)C1CCCCC1.Cl
InChIInChI=1S/C25H31ClN2O2.ClH/c1-18(2)28(21-12-8-5-9-13-21)17-24(29)27(3)23-15-14-20(26)16-22(23)25(30)19-10-6-4-7-11-19;/h4,6-7,10-11,14-16,18,21H,5,8-9,12-13,17H2,1-3H3;1H
InChIKeyMTFPAWHBWABSHJ-UHFFFAOYSA-N
XLogP6.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.45
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride (CID 3053911) is N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride is CC(C)N(CC(=O)N(C)c1ccc(Cl)cc1C(=O)c1ccccc1)C1CCCCC1.Cl.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride?
The InChIKey is MTFPAWHBWABSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN2O2.ClH/c1-18(2)28(21-12-8-5-9-13-21)17-24(29)27(3)23-15-14-20(26)16-22(23)25(30)19-10-6-4-7-11-19;/h4,6-7,10-11,14-16,18,21H,5,8-9,12-13,17H2,1-3H3;1H.
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride?
N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride has a molecular weight of 463.45 g/mol, XLogP of 6.00, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-[cyclohexyl(propan-2-yl)amino]-N-methylacetamide;hydrochloride is sourced from PubChem (CID 3053911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).