N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide

C20H23ClN2O3 — CID 5237210

IUPACN-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide
SMILESCCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-2-3-4-13-26-18-11-9-17(10-12-18)23-20(25)19(24)22-14-15-5-7-16(21)8-6-15/h5-12H,2-4,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyABCNPKYMKOBWTG-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.16
Rot. Bonds8

About N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide

N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide (PubChem CID 5237210) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide
PubChem CID5237210
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide
SMILESCCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-2-3-4-13-26-18-11-9-17(10-12-18)23-20(25)19(24)22-14-15-5-7-16(21)8-6-15/h5-12H,2-4,13-14H2,1H3,(H,22,24)(H,23,25)
InChIKeyABCNPKYMKOBWTG-UHFFFAOYSA-N
XLogP4.16
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(4-butoxyphenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2194197
N-benzyl-N'-(4-propoxyphenyl)oxamide
CID 124624786
3-(4-chlorophenyl)-N-(4-pentoxyphenyl)propanamide
CID 19220836
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915
N-[(4-chlorophenyl)methyl]-4-heptoxyaniline
CID 54799311
N-pentyl-N'-(4-propoxyphenyl)oxamide
CID 124624768
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
N'-(4-ethoxyphenyl)-N-[(4-fluorophenyl)methyl]oxamide
CID 2202978
N'-(4-pentoxyphenyl)-N-(3-propan-2-yloxypropyl)oxamide
CID 126147164
N-ethyl-N'-(4-propoxyphenyl)oxamide
CID 124624762
N'-(4-butoxyphenyl)-N-(3-ethoxypropyl)oxamide
CID 126262180
N-benzyl-4-[(4-heptoxybenzoyl)amino]benzamide
CID 43887413

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide (CID 5237210) is N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide is CCCCCOc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide?
The InChIKey is ABCNPKYMKOBWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-2-3-4-13-26-18-11-9-17(10-12-18)23-20(25)19(24)22-14-15-5-7-16(21)8-6-15/h5-12H,2-4,13-14H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide?
N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide has a molecular weight of 374.87 g/mol, XLogP of 4.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N'-(4-pentoxyphenyl)oxamide is sourced from PubChem (CID 5237210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).