N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

C17H16ClN3O5 — CID 108507388

IUPACN'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H16ClN3O5/c1-26-13-5-2-11(3-6-13)8-9-19-16(22)17(23)20-12-4-7-14(18)15(10-12)21(24)25/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyPCCLTNUKCFFIJS-UHFFFAOYSA-N
MW377.78 g/mol
LogP2.55
Rot. Bonds6

About N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide

N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (PubChem CID 108507388) has the molecular formula C17H16ClN3O5 and a molecular weight of 377.78 g/mol. Its IUPAC name is N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
PubChem CID108507388
Molecular FormulaC17H16ClN3O5
Molecular Weight377.78 g/mol
Exact Mass377.08
IUPAC NameN'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C17H16ClN3O5/c1-26-13-5-2-11(3-6-13)8-9-19-16(22)17(23)20-12-4-7-14(18)15(10-12)21(24)25/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23)
InChIKeyPCCLTNUKCFFIJS-UHFFFAOYSA-N
XLogP2.55
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-Methoxyphenyl)ethyl]-3-(3-nitrophenyl)urea
CID 2981704
N-(3-Chloro-4-methylphenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2201159
N'-(3,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 2213488
N-(3-chlorophenyl)-N'-[2-(4-methoxyphenyl)ethyl]ethanediamide
CID 2218090
N-(4-chlorophenyl)-N'-(4-methoxybenzyl)ethanediamide
CID 2281328
N1-(4-chlorophenyl)-N2-(4-methoxyphenethyl)oxalamide
CID 2876208
N'-(3-chloro-4-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585054
N1-(4-chloro-3-cyanophenyl)-N2-(4-methoxyphenethyl)oxalamide
CID 86995457
N'-(4-chloro-3-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 117948144
1-[5,5-Bis(4-methoxyphenyl)pentyl]-3-(4-chloro-3-nitrophenyl)urea
CID 146347131
N-(2-chloro-4-nitrophenyl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 4879551
N-(2-Chloro-5-nitrophenyl)-2-((3-methoxyphenyl)amino)propanamide
CID 4879710

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide (CID 108507388) is N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
The InChIKey is PCCLTNUKCFFIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O5/c1-26-13-5-2-11(3-6-13)8-9-19-16(22)17(23)20-12-4-7-14(18)15(10-12)21(24)25/h2-7,10H,8-9H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide?
N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide has a molecular weight of 377.78 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-3-nitrophenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 108507388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).