N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide

C20H11Cl2FN2O4 — CID 18271698

IUPACN-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H11Cl2FN2O4/c21-15-7-5-11(9-18(15)25(28)29)19(26)13-3-1-2-4-14(13)20(27)24-12-6-8-17(23)16(22)10-12/h1-10H,(H,24,27)
InChIKeyIPTUGWPEXLPJLU-UHFFFAOYSA-N
MW433.22 g/mol
LogP5.52
Rot. Bonds5

About N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide

N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide (PubChem CID 18271698) has the molecular formula C20H11Cl2FN2O4 and a molecular weight of 433.22 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide
PubChem CID18271698
Molecular FormulaC20H11Cl2FN2O4
Molecular Weight433.22 g/mol
Exact Mass432.01
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C20H11Cl2FN2O4/c21-15-7-5-11(9-18(15)25(28)29)19(26)13-3-1-2-4-14(13)20(27)24-12-6-8-17(23)16(22)10-12/h1-10H,(H,24,27)
InChIKeyIPTUGWPEXLPJLU-UHFFFAOYSA-N
XLogP5.52
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.22
LogP ≤ 55.52
H-Bond Donors ≤ 51
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-(4-chloro-3-nitrobenzoyl)-N-[4-(4-chlorophenoxy)phenyl]benzamide
CID 3358329
2-(4-chloro-3-nitrobenzoyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 5001332
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
N-(3-chloro-4-fluorophenyl)-2,4-dinitrobenzamide
CID 2852992
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-benzyl-2-(4-chloro-3-nitrobenzoyl)benzamide
CID 4783520
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
4-chloro-N-[3-[(2-methylbenzoyl)amino]phenyl]-3-nitrobenzamide
CID 1365570
2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
CID 103730763

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide (CID 18271698) is N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide?
The InChIKey is IPTUGWPEXLPJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2FN2O4/c21-15-7-5-11(9-18(15)25(28)29)19(26)13-3-1-2-4-14(13)20(27)24-12-6-8-17(23)16(22)10-12/h1-10H,(H,24,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide?
N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide has a molecular weight of 433.22 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(4-chloro-3-nitrobenzoyl)benzamide is sourced from PubChem (CID 18271698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).