N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide

C21H23ClN2O3 — CID 27451892

IUPACN-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H23ClN2O3/c22-18-9-5-4-6-16(18)14-23-19(25)20(26)24-15-21(10-12-27-13-11-21)17-7-2-1-3-8-17/h1-9H,10-15H2,(H,23,25)(H,24,26)
InChIKeyHDMMINSSJWIXCD-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.82
Rot. Bonds5

About N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide

N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide (PubChem CID 27451892) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide
PubChem CID27451892
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC NameN-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide
SMILESO=C(NCc1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H23ClN2O3/c22-18-9-5-4-6-16(18)14-23-19(25)20(26)24-15-21(10-12-27-13-11-21)17-7-2-1-3-8-17/h1-9H,10-15H2,(H,23,25)(H,24,26)
InChIKeyHDMMINSSJWIXCD-UHFFFAOYSA-N
XLogP2.82
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

US9102591, 2-Chloro-N-[4-(4-chloro-phenyl)-tetrahydro-pyran-4-ylmethyl]-benzamide
CID 27449136
N'-[(2-chlorophenyl)methyl]-N-[2-(cyclohexen-1-yl)ethyl]oxamide
CID 2222226
2-(4-benzylpiperazin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 2091116
2-chloro-6-fluoro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448799
2-[[4-(4-chlorophenyl)oxan-4-yl]amino]-N-cyclopentylacetamide
CID 53603174
4-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]oxane-4-carboxamide
CID 134800823
4-(4-chlorophenyl)-N-[(4-fluorophenyl)methyl]oxane-4-carboxamide
CID 134801919
4-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]oxane-4-carboxamide
CID 134804047
2-chloro-N-((4-phenyltetrahydro-2H-pyran-4-yl)methyl)benzamide
CID 755209
N1-((1-benzylpiperidin-4-yl)methyl)-N2-(2-chlorobenzyl)oxalamide
CID 16886894
N1-(2-chlorobenzyl)-N2-phenethyloxalamide
CID 18588767
N1-benzhydryl-N2-(2-chlorobenzyl)oxalamide
CID 18588839

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide (CID 27451892) is N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide is O=C(NCc1ccccc1Cl)C(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide?
The InChIKey is HDMMINSSJWIXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c22-18-9-5-4-6-16(18)14-23-19(25)20(26)24-15-21(10-12-27-13-11-21)17-7-2-1-3-8-17/h1-9H,10-15H2,(H,23,25)(H,24,26).
What are the key properties of N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide?
N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide has a molecular weight of 386.88 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-N'-[(4-phenyloxan-4-yl)methyl]oxamide is sourced from PubChem (CID 27451892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).