N-(4-chloro-2-fluorophenyl)nitramide

C6H4ClFN2O2 — CID 57292925

IUPACN-(4-chloro-2-fluorophenyl)nitramide
SMILESO=[N+]([O-])Nc1ccc(Cl)cc1F
InChIInChI=1S/C6H4ClFN2O2/c7-4-1-2-6(5(8)3-4)9-10(11)12/h1-3,9H
InChIKeyKZELIBVEKCQKOZ-UHFFFAOYSA-N
MW190.56 g/mol
LogP2.08
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)nitramide

N-(4-chloro-2-fluorophenyl)nitramide (PubChem CID 57292925) has the molecular formula C6H4ClFN2O2 and a molecular weight of 190.56 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)nitramide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)nitramide
PubChem CID57292925
Molecular FormulaC6H4ClFN2O2
Molecular Weight190.56 g/mol
Exact Mass189.99
IUPAC NameN-(4-chloro-2-fluorophenyl)nitramide
SMILESO=[N+]([O-])Nc1ccc(Cl)cc1F
InChIInChI=1S/C6H4ClFN2O2/c7-4-1-2-6(5(8)3-4)9-10(11)12/h1-3,9H
InChIKeyKZELIBVEKCQKOZ-UHFFFAOYSA-N
XLogP2.08
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.56
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,4-difluorophenyl)nitramide
CID 57216899
N-(4-bromo-2-nitrophenyl)-4-chloro-2-fluoroaniline
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N-(2-chloro-5-hydroxyphenyl)nitramide
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2-(4-chloro-2-fluoroanilino)-5-nitrobenzonitrile
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N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118
4-chloro-N-(2-fluoro-4-hydroxyphenyl)-2-nitrobenzamide
CID 64786289
sodium N-(4-chloro-2-fluorophenyl)sulfamate
CID 23674123
N-[(4-chloro-2-fluorophenyl)methyl]-2-fluoro-4-nitroaniline
CID 114842224
4-[(5-chloro-2-fluorophenyl)methylamino]-3-nitrophenol
CID 114842015
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
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2-(4-chloro-2-fluoroanilino)-N-(4-nitrophenyl)acetamide
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N-(4-chloro-2-fluorophenyl)-2-hydroxy-3-nitrobenzamide
CID 103875003

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)nitramide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)nitramide (CID 57292925) is N-(4-chloro-2-fluorophenyl)nitramide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)nitramide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)nitramide is O=[N+]([O-])Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)nitramide?
The InChIKey is KZELIBVEKCQKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFN2O2/c7-4-1-2-6(5(8)3-4)9-10(11)12/h1-3,9H.
What are the key properties of N-(4-chloro-2-fluorophenyl)nitramide?
N-(4-chloro-2-fluorophenyl)nitramide has a molecular weight of 190.56 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)nitramide is sourced from PubChem (CID 57292925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).