N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide

C21H25ClN2O2 — CID 56501396

IUPACN-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-17(15-23-10-12-26-13-11-23)24(16-18-6-3-2-4-7-18)21(25)19-8-5-9-20(22)14-19/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyLWRUTPLGUJDOHG-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.70
Rot. Bonds6

About N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide

N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide (PubChem CID 56501396) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
PubChem CID56501396
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC NameN-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide
SMILESCC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C21H25ClN2O2/c1-17(15-23-10-12-26-13-11-23)24(16-18-6-3-2-4-7-18)21(25)19-8-5-9-20(22)14-19/h2-9,14,17H,10-13,15-16H2,1H3
InChIKeyLWRUTPLGUJDOHG-UHFFFAOYSA-N
XLogP3.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1-(3-chlorophenyl)-N-(1-morpholin-4-ylpropan-2-yl)pyrazole-4-carboxamide
CID 56500434
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-1H-indole-2-carboxamide
CID 56500994
N-benzyl-4-(methylsulfamoyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56501661
N-benzyl-5-chloro-N-(1-morpholin-4-ylpropan-2-yl)-6-propan-2-yloxypyridine-3-carboxamide
CID 56501228
N-benzyl-4-(methylsulfonylmethyl)-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500850
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-2-phenoxypropanamide
CID 56500998
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 56501654
N-benzyl-5-methyl-N-(1-morpholin-4-ylpropan-2-yl)-1-phenylpyrazole-3-carboxamide
CID 56500963
2-amino-N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)pentanamide
CID 119877071
N-benzyl-2-bromo-5-methoxy-N-(1-morpholin-4-ylpropan-2-yl)benzamide
CID 56500983
N-benzyl-2-[(2-chlorophenyl)methoxy]-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 56501629
N-benzyl-N-(1-morpholin-4-ylpropan-2-yl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 56500710

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The IUPAC name of N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide (CID 56501396) is N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide.
What is the SMILES notation for N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The canonical SMILES for N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide is CC(CN1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(Cl)c1.
What is the InChIKey of N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
The InChIKey is LWRUTPLGUJDOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-17(15-23-10-12-26-13-11-23)24(16-18-6-3-2-4-7-18)21(25)19-8-5-9-20(22)14-19/h2-9,14,17H,10-13,15-16H2,1H3.
What are the key properties of N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide?
N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide has a molecular weight of 372.90 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-(1-morpholin-4-ylpropan-2-yl)benzamide is sourced from PubChem (CID 56501396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).