N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide

C20H12ClFN4O6 — CID 4158192

IUPACN-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
SMILESO=C(Nc1cc(F)c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H12ClFN4O6/c21-15-9-17(23-19(27)11-1-5-13(6-2-11)25(29)30)18(10-16(15)22)24-20(28)12-3-7-14(8-4-12)26(31)32/h1-10H,(H,23,27)(H,24,28)
InChIKeyBCMGISRBDZUXNA-UHFFFAOYSA-N
MW458.79 g/mol
LogP4.80
Rot. Bonds6

About N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide

N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide (PubChem CID 4158192) has the molecular formula C20H12ClFN4O6 and a molecular weight of 458.79 g/mol. Its IUPAC name is N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
PubChem CID4158192
Molecular FormulaC20H12ClFN4O6
Molecular Weight458.79 g/mol
Exact Mass458.04
IUPAC NameN-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
SMILESO=C(Nc1cc(F)c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C20H12ClFN4O6/c21-15-9-17(23-19(27)11-1-5-13(6-2-11)25(29)30)18(10-16(15)22)24-20(28)12-3-7-14(8-4-12)26(31)32/h1-10H,(H,23,27)(H,24,28)
InChIKeyBCMGISRBDZUXNA-UHFFFAOYSA-N
XLogP4.80
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.79
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
3-chloro-N-(2-fluoro-4-nitrophenyl)-4-iodobenzamide
CID 103738031
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
2,4-dichloro-5-fluoro-N-(4-nitrophenyl)benzamide
CID 51204698
N-(2-bromo-6-chloro-4-fluorophenyl)-4-nitrobenzamide
CID 103867738
N-(2-fluoro-5-nitrophenyl)-4-(trifluoromethyl)benzamide
CID 18190863
N-(3-chloro-4-hydroxyphenyl)-4-nitrobenzamide
CID 4636309
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide?
The IUPAC name of N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide (CID 4158192) is N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide.
What is the SMILES notation for N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide?
The canonical SMILES for N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide is O=C(Nc1cc(F)c(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide?
The InChIKey is BCMGISRBDZUXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClFN4O6/c21-15-9-17(23-19(27)11-1-5-13(6-2-11)25(29)30)18(10-16(15)22)24-20(28)12-3-7-14(8-4-12)26(31)32/h1-10H,(H,23,27)(H,24,28).
What are the key properties of N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide?
N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide has a molecular weight of 458.79 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide is sourced from PubChem (CID 4158192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).