N-(3-chloro-4-fluoroanilino)nitramide

C6H5ClFN3O2 — CID 175062714

IUPACN-(3-chloro-4-fluoroanilino)nitramide
SMILESO=[N+]([O-])NNc1ccc(F)c(Cl)c1
InChIInChI=1S/C6H5ClFN3O2/c7-5-3-4(1-2-6(5)8)9-10-11(12)13/h1-3,9-10H
InChIKeyJMFYWPMEVNIHKX-UHFFFAOYSA-N
MW205.58 g/mol
LogP1.59
Rot. Bonds3

About N-(3-chloro-4-fluoroanilino)nitramide

N-(3-chloro-4-fluoroanilino)nitramide (PubChem CID 175062714) has the molecular formula C6H5ClFN3O2 and a molecular weight of 205.58 g/mol. Its IUPAC name is N-(3-chloro-4-fluoroanilino)nitramide.

Molecular Properties

Compound NameN-(3-chloro-4-fluoroanilino)nitramide
PubChem CID175062714
Molecular FormulaC6H5ClFN3O2
Molecular Weight205.58 g/mol
Exact Mass205.01
IUPAC NameN-(3-chloro-4-fluoroanilino)nitramide
SMILESO=[N+]([O-])NNc1ccc(F)c(Cl)c1
InChIInChI=1S/C6H5ClFN3O2/c7-5-3-4(1-2-6(5)8)9-10-11(12)13/h1-3,9-10H
InChIKeyJMFYWPMEVNIHKX-UHFFFAOYSA-N
XLogP1.59
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.58
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2,6-dichloro-N-(3-chloro-4-fluorophenyl)-4-nitroaniline
CID 106891417
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitroaniline
CID 63536605
N'-(3-chloro-4-fluorophenyl)-N-(4-chloro-3-nitrophenyl)oxamide
CID 108512810
2-[2-(3-chloro-4-fluorophenyl)hydrazinyl]ethanamine
CID 174466054
4-bromo-N-(3-chloro-4-fluorophenyl)-5-fluoro-2-nitroaniline
CID 66110072
3-chloro-4-fluoro-N-methylaniline;ethane
CID 142993697
N-(3-chloro-4-fluorophenyl)sulfamoyl chloride
CID 84760554
3-chloro-4-fluoro-N-[(5-nitrothiophen-2-yl)methyl]aniline
CID 40515559
4-(3-chloro-4-fluoroanilino)-3-nitrobenzaldehyde
CID 78907019
4-N-(3-chloro-4-fluorophenyl)-6-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22537882
N-(3-chloro-4-fluorophenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 3354300
lithium (2S)-2-(3-chloro-4-fluoroanilino)propanoate
CID 69119001

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluoroanilino)nitramide?
The IUPAC name of N-(3-chloro-4-fluoroanilino)nitramide (CID 175062714) is N-(3-chloro-4-fluoroanilino)nitramide.
What is the SMILES notation for N-(3-chloro-4-fluoroanilino)nitramide?
The canonical SMILES for N-(3-chloro-4-fluoroanilino)nitramide is O=[N+]([O-])NNc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluoroanilino)nitramide?
The InChIKey is JMFYWPMEVNIHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFN3O2/c7-5-3-4(1-2-6(5)8)9-10-11(12)13/h1-3,9-10H.
What are the key properties of N-(3-chloro-4-fluoroanilino)nitramide?
N-(3-chloro-4-fluoroanilino)nitramide has a molecular weight of 205.58 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluoroanilino)nitramide is sourced from PubChem (CID 175062714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).