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

C19H22ClN3O4 — CID 7217373

IUPACN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C19H22ClN3O4/c20-15-5-2-1-4-14(15)12-21-18(24)19(25)22-13-16(17-6-3-9-27-17)23-7-10-26-11-8-23/h1-6,9,16H,7-8,10-13H2,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyXHGXBJYZEVYYGA-MRXNPFEDSA-N
MW391.86 g/mol
LogP1.74
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide (PubChem CID 7217373) has the molecular formula C19H22ClN3O4 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
PubChem CID7217373
Molecular FormulaC19H22ClN3O4
Molecular Weight391.86 g/mol
Exact Mass391.13
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)N1CCOCC1
InChIInChI=1S/C19H22ClN3O4/c20-15-5-2-1-4-14(15)12-21-18(24)19(25)22-13-16(17-6-3-9-27-17)23-7-10-26-11-8-23/h1-6,9,16H,7-8,10-13H2,(H,21,24)(H,22,25)/t16-/m1/s1
InChIKeyXHGXBJYZEVYYGA-MRXNPFEDSA-N
XLogP1.74
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 51.74
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-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217371
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]oxamide
CID 41234650
N-benzyl-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217143
N-(furan-2-ylmethyl)-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217319
N-[(2-chlorophenyl)methyl]-N'-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835275
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(1-methylpyrrol-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 29343916
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 7217195
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]oxamide
CID 30835377
N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]-N-[(4-methoxyphenyl)methyl]oxamide
CID 7217228
2-(2-chlorophenoxy)-N-[2-(furan-2-yl)-2-morpholin-4-ylethyl]acetamide
CID 17014204
N-[2-(dimethylamino)ethyl]-N'-[2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide
CID 121036180
N'-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 16809801

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide (CID 7217373) is N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)NC[C@H](c1ccco1)N1CCOCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
The InChIKey is XHGXBJYZEVYYGA-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22ClN3O4/c20-15-5-2-1-4-14(15)12-21-18(24)19(25)22-13-16(17-6-3-9-27-17)23-7-10-26-11-8-23/h1-6,9,16H,7-8,10-13H2,(H,21,24)(H,22,25)/t16-/m1/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide has a molecular weight of 391.86 g/mol, XLogP of 1.74, 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-(furan-2-yl)-2-morpholin-4-ylethyl]oxamide is sourced from PubChem (CID 7217373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).