3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide

C10H14FN3O — CID 77029578

IUPAC3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide
SMILESCc1ccc(F)c(NCCC(N)=NO)c1
InChIInChI=1S/C10H14FN3O/c1-7-2-3-8(11)9(6-7)13-5-4-10(12)14-15/h2-3,6,13,15H,4-5H2,1H3,(H2,12,14)
InChIKeyNIVFBHKXKMDMMJ-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.68
Rot. Bonds4

About 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide

3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide (PubChem CID 77029578) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide.

Molecular Properties

Compound Name3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide
PubChem CID77029578
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide
SMILESCc1ccc(F)c(NCCC(N)=NO)c1
InChIInChI=1S/C10H14FN3O/c1-7-2-3-8(11)9(6-7)13-5-4-10(12)14-15/h2-3,6,13,15H,4-5H2,1H3,(H2,12,14)
InChIKeyNIVFBHKXKMDMMJ-UHFFFAOYSA-N
XLogP1.68
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-(4-bromo-2,5-difluoroanilino)-N'-hydroxypropanimidamide
CID 107613140
5-(5-bromo-2-fluoroanilino)-N'-hydroxypentanimidamide
CID 77027557
3-(2,3-difluoroanilino)-N'-hydroxypropanimidamide
CID 77032102
(3Z)-3-amino-N-(2-fluoro-5-methylphenyl)-3-hydroxyiminopropanamide
CID 43156189
N-(2-fluoro-5-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28877671
5-(2,5-difluoro-4-methylanilino)-N'-hydroxypentanimidamide
CID 103586293
N-(3,3-dimethylbutyl)-2-fluoro-5-methylaniline
CID 60679773
N-butyl-2-fluoro-5-methylaniline
CID 28877664
3-(2-bromo-4-fluoroanilino)-N'-hydroxypropanimidamide
CID 77029787
3-(2-chloro-5-fluoroanilino)-N'-hydroxypropanimidamide
CID 107528793
N'-hydroxy-4-(4-methylanilino)butanimidamide
CID 77025485
N-carbamoyl-2-(2-fluoro-5-methylanilino)acetamide
CID 28879433

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide?
The IUPAC name of 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide (CID 77029578) is 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide.
What is the SMILES notation for 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide?
The canonical SMILES for 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide is Cc1ccc(F)c(NCCC(N)=NO)c1.
What is the InChIKey of 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide?
The InChIKey is NIVFBHKXKMDMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-7-2-3-8(11)9(6-7)13-5-4-10(12)14-15/h2-3,6,13,15H,4-5H2,1H3,(H2,12,14).
What are the key properties of 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide?
3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide has a molecular weight of 211.24 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-5-methylanilino)-N'-hydroxypropanimidamide is sourced from PubChem (CID 77029578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).