N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide

C7H6ClF2N3 — CID 82771669

IUPACN'-amino-4-chloro-2,5-difluorobenzenecarboximidamide
SMILESN/N=C(/N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C7H6ClF2N3/c8-4-2-5(9)3(1-6(4)10)7(11)13-12/h1-2H,12H2,(H2,11,13)
InChIKeyJOXBCBWVFPXNCH-UHFFFAOYSA-N
MW205.60 g/mol
LogP1.20
Rot. Bonds1

About N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide

N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide (PubChem CID 82771669) has the molecular formula C7H6ClF2N3 and a molecular weight of 205.60 g/mol. Its IUPAC name is N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-chloro-2,5-difluorobenzenecarboximidamide
PubChem CID82771669
Molecular FormulaC7H6ClF2N3
Molecular Weight205.60 g/mol
Exact Mass205.02
IUPAC NameN'-amino-4-chloro-2,5-difluorobenzenecarboximidamide
SMILESN/N=C(/N)c1cc(F)c(Cl)cc1F
InChIInChI=1S/C7H6ClF2N3/c8-4-2-5(9)3(1-6(4)10)7(11)13-12/h1-2H,12H2,(H2,11,13)
InChIKeyJOXBCBWVFPXNCH-UHFFFAOYSA-N
XLogP1.20
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-2,4-difluorobenzenecarboximidamide;hydroiodide
CID 86594416
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
3-amino-1-(4-chloro-2,5-difluorophenyl)propan-1-one
CID 84787105
1-(4-chloro-2,5-difluorophenyl)-2-methylprop-1-en-1-ol
CID 164945789
2-(4-chloro-2,5-difluorophenyl)-2-oxoacetic acid
CID 117314948
(2-chloro-4,5-difluorophenyl)-(4-chloro-2,5-difluorophenyl)methanone
CID 107475698
N'-amino-4-bromo-2-chlorobenzenecarboximidamide
CID 61361774
N-[(2S)-1-amino-1-oxopropan-2-yl]-4-chloro-2,5-difluorobenzamide
CID 86785546
2,5-dichloro-4-fluorophenol
CID 3535760
5-chloro-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 82490852
N-(3-amino-2-hydroxy-3-oxopropyl)-4-chloro-2,5-difluorobenzamide
CID 106165772
1-(4-chloro-2,5-difluorophenyl)but-3-yn-1-one
CID 114962072

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide?
The IUPAC name of N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide (CID 82771669) is N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide.
What is the SMILES notation for N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide?
The canonical SMILES for N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide is N/N=C(/N)c1cc(F)c(Cl)cc1F.
What is the InChIKey of N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide?
The InChIKey is JOXBCBWVFPXNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3/c8-4-2-5(9)3(1-6(4)10)7(11)13-12/h1-2H,12H2,(H2,11,13).
What are the key properties of N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide?
N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide has a molecular weight of 205.60 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-chloro-2,5-difluorobenzenecarboximidamide is sourced from PubChem (CID 82771669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).