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

C19H20Cl2N2O3 — CID 90600151

IUPACN'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-19(26-2,14-7-5-8-15(20)10-14)12-23-18(25)17(24)22-11-13-6-3-4-9-16(13)21/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySHMQZMMOVMKYKK-UHFFFAOYSA-N
MW395.29 g/mol
LogP3.29
Rot. Bonds6

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

N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide (PubChem CID 90600151) has the molecular formula C19H20Cl2N2O3 and a molecular weight of 395.29 g/mol. Its IUPAC name is N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
PubChem CID90600151
Molecular FormulaC19H20Cl2N2O3
Molecular Weight395.29 g/mol
Exact Mass394.09
IUPAC NameN'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide
SMILESCOC(C)(CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C19H20Cl2N2O3/c1-19(26-2,14-7-5-8-15(20)10-14)12-23-18(25)17(24)22-11-13-6-3-4-9-16(13)21/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySHMQZMMOVMKYKK-UHFFFAOYSA-N
XLogP3.29
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.29
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
N'-(3-acetamidophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600155
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyphenyl)urea
CID 90600196
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
CID 90599834
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(4-ethoxyphenyl)urea
CID 90600200
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881
N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
CID 90599898

Frequently Asked Questions

What is the IUPAC name of N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide?
The IUPAC name of N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide (CID 90600151) is N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide is COC(C)(CNC(=O)C(=O)NCc1ccccc1Cl)c1cccc(Cl)c1.
What is the InChIKey of N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide?
The InChIKey is SHMQZMMOVMKYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O3/c1-19(26-2,14-7-5-8-15(20)10-14)12-23-18(25)17(24)22-11-13-6-3-4-9-16(13)21/h3-10H,11-12H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide?
N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide has a molecular weight of 395.29 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(3-chlorophenyl)-2-methoxypropyl]-N-[(2-chlorophenyl)methyl]oxamide is sourced from PubChem (CID 90600151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).