2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide

C15H11ClFN3O4 — CID 7973820

IUPAC2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClFN3O4/c16-11-4-2-1-3-10(11)15(22)18-8-14(21)19-9-5-6-12(17)13(7-9)20(23)24/h1-7H,8H2,(H,18,22)(H,19,21)
InChIKeyVZZCCCBNTCXUCI-UHFFFAOYSA-N
MW351.72 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide

2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide (PubChem CID 7973820) has the molecular formula C15H11ClFN3O4 and a molecular weight of 351.72 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
PubChem CID7973820
Molecular FormulaC15H11ClFN3O4
Molecular Weight351.72 g/mol
Exact Mass351.04
IUPAC Name2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C15H11ClFN3O4/c16-11-4-2-1-3-10(11)15(22)18-8-14(21)19-9-5-6-12(17)13(7-9)20(23)24/h1-7H,8H2,(H,18,22)(H,19,21)
InChIKeyVZZCCCBNTCXUCI-UHFFFAOYSA-N
XLogP2.76
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.72
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethoxy)-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide
CID 7973810
N-(3,4-dichlorophenyl)-2-(4-fluoro-3-nitroanilino)acetamide
CID 9099793
2-chloro-N-[2-(3,4-dichloroanilino)-2-oxoethyl]benzamide
CID 9411490
4-chloro-N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-nitrobenzamide
CID 7930157
2-chloro-N-[2-(3,4-dimethylanilino)-2-oxoethyl]benzamide
CID 18891735
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948
N,N'-bis(4-fluoro-3-nitrophenyl)pentanediamide
CID 4303961
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
N-(4-fluoro-3-nitrophenyl)-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 24635076
[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 2512041
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-2-methylbenzamide
CID 17395084
2-O-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56505500

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide (CID 7973820) is 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide?
The InChIKey is VZZCCCBNTCXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O4/c16-11-4-2-1-3-10(11)15(22)18-8-14(21)19-9-5-6-12(17)13(7-9)20(23)24/h1-7H,8H2,(H,18,22)(H,19,21).
What are the key properties of 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide?
2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide has a molecular weight of 351.72 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-fluoro-3-nitroanilino)-2-oxoethyl]benzamide is sourced from PubChem (CID 7973820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).