N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide

C18H18ClN3O4 — CID 108510914

IUPACN-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H18ClN3O4/c1-3-12-4-6-13(7-5-12)11(2)20-17(23)18(24)21-14-8-9-15(19)16(10-14)22(25)26/h4-11H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDIZAEVPAAMVKHN-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.63
Rot. Bonds5

About N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide

N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide (PubChem CID 108510914) has the molecular formula C18H18ClN3O4 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
PubChem CID108510914
Molecular FormulaC18H18ClN3O4
Molecular Weight375.81 g/mol
Exact Mass375.10
IUPAC NameN-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1
InChIInChI=1S/C18H18ClN3O4/c1-3-12-4-6-13(7-5-12)11(2)20-17(23)18(24)21-14-8-9-15(19)16(10-14)22(25)26/h4-11H,3H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyDIZAEVPAAMVKHN-UHFFFAOYSA-N
XLogP3.63
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-chloro-N-[1-(4-ethylphenyl)ethyl]-3-nitrobenzamide
CID 17326814
N'-tert-butyl-N-(4-chloro-3-nitrophenyl)oxamide
CID 108506810
N'-(4-chloro-3-nitrophenyl)-N-(2,2-dimethoxyethyl)oxamide
CID 108512803
N-(3,4-diethoxyphenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108510959
N-(4-chloro-3-nitrophenyl)-N'-(3,5-dimethylphenyl)oxamide
CID 108512821
N-(2,4-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108502742
N-(4-chloro-3-nitrophenyl)-3-(4-ethylphenoxy)propanamide
CID 108807182
methyl 2-(4-chloro-3-nitroanilino)-2-oxoacetate
CID 103601678
[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl] 4-chloro-3-nitrobenzoate
CID 7866022
N-(2,3-dichlorophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide
CID 108500692
N-(4-chloro-3-nitrophenyl)-N'-(2,4,4-trimethylpentan-2-yl)oxamide
CID 108512763
N-[(4-chloro-3-nitrophenyl)methyl]-4-ethylaniline
CID 115281337

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The IUPAC name of N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide (CID 108510914) is N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide.
What is the SMILES notation for N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The canonical SMILES for N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide is CCc1ccc(C(C)NC(=O)C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
The InChIKey is DIZAEVPAAMVKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O4/c1-3-12-4-6-13(7-5-12)11(2)20-17(23)18(24)21-14-8-9-15(19)16(10-14)22(25)26/h4-11H,3H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide?
N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide has a molecular weight of 375.81 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-nitrophenyl)-N'-[1-(4-ethylphenyl)ethyl]oxamide is sourced from PubChem (CID 108510914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).