N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide

C20H25ClN4O3 — CID 29343916

IUPACN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H25ClN4O3/c1-24-8-4-7-17(24)18(25-9-11-28-12-10-25)14-23-20(27)19(26)22-13-15-5-2-3-6-16(15)21/h2-8,18H,9-14H2,1H3,(H,22,26)(H,23,27)/t18-/m1/s1
InChIKeyNEJFYPUPXHTJER-GOSISDBHSA-N
MW404.90 g/mol
LogP1.48
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 29343916) has the molecular formula C20H25ClN4O3 and a molecular weight of 404.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
PubChem CID29343916
Molecular FormulaC20H25ClN4O3
Molecular Weight404.90 g/mol
Exact Mass404.16
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESCn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccccc1Cl)N1CCOCC1
InChIInChI=1S/C20H25ClN4O3/c1-24-8-4-7-17(24)18(25-9-11-28-12-10-25)14-23-20(27)19(26)22-13-15-5-2-3-6-16(15)21/h2-8,18H,9-14H2,1H3,(H,22,26)(H,23,27)/t18-/m1/s1
InChIKeyNEJFYPUPXHTJER-GOSISDBHSA-N
XLogP1.48
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835275
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217371
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217373
N-[(2-chlorophenyl)methyl]-N'-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 71781641
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835377
N'-[(2R)-2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-N-(2-morpholin-4-ylethyl)oxamide
CID 29343975
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343723
N-[(4-chlorophenyl)methyl]-N'-[(2R)-2-(4-methylpiperazin-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]oxamide
CID 29344019
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343782
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 41234650
2,4,6-trimethyl-N-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 29341437
2-(2-methoxyphenoxy)-N-[(2S)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 29341504

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide (CID 29343916) is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide is Cn1cccc1[C@@H](CNC(=O)C(=O)NCc1ccccc1Cl)N1CCOCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is NEJFYPUPXHTJER-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25ClN4O3/c1-24-8-4-7-17(24)18(25-9-11-28-12-10-25)14-23-20(27)19(26)22-13-15-5-2-3-6-16(15)21/h2-8,18H,9-14H2,1H3,(H,22,26)(H,23,27)/t18-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 404.90 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 29343916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).