3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide

C9H10BrF2N3O — CID 107613140

IUPAC3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
SMILESN/C(CCNc1cc(F)c(Br)cc1F)=N/O
InChIInChI=1S/C9H10BrF2N3O/c10-5-3-7(12)8(4-6(5)11)14-2-1-9(13)15-16/h3-4,14,16H,1-2H2,(H2,13,15)
InChIKeyCEWLPKSSCQFAPW-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.28
Rot. Bonds4

About 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide

3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide (PubChem CID 107613140) has the molecular formula C9H10BrF2N3O and a molecular weight of 294.10 g/mol. Its IUPAC name is 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
PubChem CID107613140
Molecular FormulaC9H10BrF2N3O
Molecular Weight294.10 g/mol
Exact Mass293.00
IUPAC Name3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
SMILESN/C(CCNc1cc(F)c(Br)cc1F)=N/O
InChIInChI=1S/C9H10BrF2N3O/c10-5-3-7(12)8(4-6(5)11)14-2-1-9(13)15-16/h3-4,14,16H,1-2H2,(H2,13,15)
InChIKeyCEWLPKSSCQFAPW-UHFFFAOYSA-N
XLogP2.28
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromo-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77029787
3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide
CID 77029578
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
5-(4-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77026696
5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
CID 103586293
3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide
CID 77032102
3-(2-bromo-5-methoxyanilino)-N'-hydroxypropanimidamide
CID 77069982
3-(5-bromo-2,4-difluoroanilino)propanoic acid
CID 102853464
4-bromo-N-(3,3-dimethylbutyl)-2,5-difluoroaniline
CID 107609345
3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
CID 107528793
5-(2,5-dibromoanilino)-N'-hydroxypentanimidamide
CID 77032478
N-[(3E)-3-amino-3-hydroxyiminopropyl]-4-bromo-3-fluorobenzamide
CID 55102044

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide (CID 107613140) is 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide is N/C(CCNc1cc(F)c(Br)cc1F)=N/O.
What is the InChIKey of 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide?
The InChIKey is CEWLPKSSCQFAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrF2N3O/c10-5-3-7(12)8(4-6(5)11)14-2-1-9(13)15-16/h3-4,14,16H,1-2H2,(H2,13,15).
What are the key properties of 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide?
3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide has a molecular weight of 294.10 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 107613140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).