N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide

C19H21ClN2O3 — CID 90600108

IUPACN-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)NCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-19(25-2,15-9-6-10-16(20)11-15)13-22-18(24)17(23)21-12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWAKCFQQXBWHBIL-UHFFFAOYSA-N
MW360.84 g/mol
LogP2.63
Rot. Bonds6

About N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide

N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide (PubChem CID 90600108) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide.

Molecular Properties

Compound NameN-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
PubChem CID90600108
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)NCc1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O3/c1-19(25-2,15-9-6-10-16(20)11-15)13-22-18(24)17(23)21-12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyWAKCFQQXBWHBIL-UHFFFAOYSA-N
XLogP2.63
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 52.63
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

N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
CID 90600151
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600155
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide?
The IUPAC name of N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide (CID 90600108) is N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide.
What is the SMILES notation for N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide?
The canonical SMILES for N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide is COC(C)(CNC(=O)C(=O)NCc1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide?
The InChIKey is WAKCFQQXBWHBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-19(25-2,15-9-6-10-16(20)11-15)13-22-18(24)17(23)21-12-14-7-4-3-5-8-14/h3-11H,12-13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide?
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide has a molecular weight of 360.84 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide is sourced from PubChem (CID 90600108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).