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

C18H18FN3O4 — CID 86995657

IUPACN'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCc2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O4/c1-2-13-5-8-15(11-16(13)22(25)26)21-18(24)17(23)20-10-9-12-3-6-14(19)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyODTYUBBXMKTMQK-UHFFFAOYSA-N
MW359.36 g/mol
LogP2.59
Rot. Bonds6

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

N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide (PubChem CID 86995657) has the molecular formula C18H18FN3O4 and a molecular weight of 359.36 g/mol. Its IUPAC name is N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
PubChem CID86995657
Molecular FormulaC18H18FN3O4
Molecular Weight359.36 g/mol
Exact Mass359.13
IUPAC NameN'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide
SMILESCCc1ccc(NC(=O)C(=O)NCCc2ccc(F)cc2)cc1[N+](=O)[O-]
InChIInChI=1S/C18H18FN3O4/c1-2-13-5-8-15(11-16(13)22(25)26)21-18(24)17(23)20-10-9-12-3-6-14(19)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,20,23)(H,21,24)
InChIKeyODTYUBBXMKTMQK-UHFFFAOYSA-N
XLogP2.59
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 52.59
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

N'-(4-ethyl-3-nitrophenyl)-N-(2-naphthalen-1-ylethyl)oxamide
CID 86997125
N'-(4-ethyl-3-nitrophenyl)-N-(3-methoxypropyl)oxamide
CID 86995402
4-(4-ethyl-3-nitroanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992988
(3-nitro-4-propylphenyl)carbamic acid
CID 67247767
N-(4-fluoro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 797948
N-[2-(4-fluorophenyl)ethyl]-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108531966
N-(4-ethyl-3-nitrophenyl)-N'-(1-methylpyrazol-4-yl)oxamide
CID 87044112
N-[2-(3,4-diethoxyphenyl)ethyl]-N'-(4-fluorophenyl)oxamide
CID 108512624
N'-(4-ethyl-3-nitrophenyl)-N-[4-(3-methylpiperidin-1-yl)butyl]oxamide
CID 86997119
2-amino-N-(4-ethyl-3-nitrophenyl)-5-fluoro-3-nitrobenzamide
CID 87044502
N-(4-chloro-3-nitrophenyl)-2-(4-fluorophenyl)acetamide
CID 3319160
4-ethyl-N-[4-(2-hydroxyethyl)phenyl]-3-nitrobenzamide
CID 111612092

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
The IUPAC name of N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide (CID 86995657) is N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide.
What is the SMILES notation for N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
The canonical SMILES for N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide is CCc1ccc(NC(=O)C(=O)NCCc2ccc(F)cc2)cc1[N+](=O)[O-].
What is the InChIKey of N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
The InChIKey is ODTYUBBXMKTMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O4/c1-2-13-5-8-15(11-16(13)22(25)26)21-18(24)17(23)20-10-9-12-3-6-14(19)7-4-12/h3-8,11H,2,9-10H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide?
N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide has a molecular weight of 359.36 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethyl-3-nitrophenyl)-N-[2-(4-fluorophenyl)ethyl]oxamide is sourced from PubChem (CID 86995657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).