N-(5-chloro-2,4-difluorophenyl)nitramide

C6H3ClF2N2O2 — CID 57216899

IUPACN-(5-chloro-2,4-difluorophenyl)nitramide
SMILESO=[N+]([O-])Nc1cc(Cl)c(F)cc1F
InChIInChI=1S/C6H3ClF2N2O2/c7-3-1-6(10-11(12)13)5(9)2-4(3)8/h1-2,10H
InChIKeyBOVGCDDWSQCVAP-UHFFFAOYSA-N
MW208.55 g/mol
LogP2.22
Rot. Bonds2

About N-(5-chloro-2,4-difluorophenyl)nitramide

N-(5-chloro-2,4-difluorophenyl)nitramide (PubChem CID 57216899) has the molecular formula C6H3ClF2N2O2 and a molecular weight of 208.55 g/mol. Its IUPAC name is N-(5-chloro-2,4-difluorophenyl)nitramide.

Molecular Properties

Compound NameN-(5-chloro-2,4-difluorophenyl)nitramide
PubChem CID57216899
Molecular FormulaC6H3ClF2N2O2
Molecular Weight208.55 g/mol
Exact Mass207.99
IUPAC NameN-(5-chloro-2,4-difluorophenyl)nitramide
SMILESO=[N+]([O-])Nc1cc(Cl)c(F)cc1F
InChIInChI=1S/C6H3ClF2N2O2/c7-3-1-6(10-11(12)13)5(9)2-4(3)8/h1-2,10H
InChIKeyBOVGCDDWSQCVAP-UHFFFAOYSA-N
XLogP2.22
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.55
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'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-(4-chloro-2-fluorophenyl)nitramide
CID 57292925
N-(2-chloro-5-hydroxyphenyl)nitramide
CID 67934436
N-(5-chloro-4-fluoro-2-nitrophenyl)-2,2,2-trifluoroacetamide
CID 2779513
N-(2,3,5,6-tetrachlorophenyl)nitramide
CID 22755541
N-[4-chloro-5-fluoro-2-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4158192
N'-(4-chloro-5-fluoro-2-nitrophenyl)butane-1,4-diamine
CID 66079116
N-(3-chloro-4-fluoroanilino)nitramide
CID 175062714
4-chloro-5-fluoro-2-nitroaniline
CID 10465141
1-chloro-2-fluoro-5-iodo-4-nitrobenzene
CID 131559689
2-[(5-chloro-4-fluoro-2-nitroanilino)methylidene]propanedinitrile
CID 168541224
N-(5-chloro-4-fluoro-2-nitrophenyl)-N',N'-dimethylethane-1,2-diamine
CID 114089224
5-chloro-4-fluoro-2-nitro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 114089254

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-difluorophenyl)nitramide?
The IUPAC name of N-(5-chloro-2,4-difluorophenyl)nitramide (CID 57216899) is N-(5-chloro-2,4-difluorophenyl)nitramide.
What is the SMILES notation for N-(5-chloro-2,4-difluorophenyl)nitramide?
The canonical SMILES for N-(5-chloro-2,4-difluorophenyl)nitramide is O=[N+]([O-])Nc1cc(Cl)c(F)cc1F.
What is the InChIKey of N-(5-chloro-2,4-difluorophenyl)nitramide?
The InChIKey is BOVGCDDWSQCVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2N2O2/c7-3-1-6(10-11(12)13)5(9)2-4(3)8/h1-2,10H.
What are the key properties of N-(5-chloro-2,4-difluorophenyl)nitramide?
N-(5-chloro-2,4-difluorophenyl)nitramide has a molecular weight of 208.55 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-difluorophenyl)nitramide is sourced from PubChem (CID 57216899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).