N'-(3-fluoro-4-methylphenyl)propanimidamide

C10H13FN2 — CID 63178981

IUPACN'-(3-fluoro-4-methylphenyl)propanimidamide
SMILESCC/C(N)=N\c1ccc(C)c(F)c1
InChIInChI=1S/C10H13FN2/c1-3-10(12)13-8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3,(H2,12,13)
InChIKeyLCEWWTAMBKRSPJ-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.53
Rot. Bonds2

About N'-(3-fluoro-4-methylphenyl)propanimidamide

N'-(3-fluoro-4-methylphenyl)propanimidamide (PubChem CID 63178981) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is N'-(3-fluoro-4-methylphenyl)propanimidamide.

Molecular Properties

Compound NameN'-(3-fluoro-4-methylphenyl)propanimidamide
PubChem CID63178981
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC NameN'-(3-fluoro-4-methylphenyl)propanimidamide
SMILESCC/C(N)=N\c1ccc(C)c(F)c1
InChIInChI=1S/C10H13FN2/c1-3-10(12)13-8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3,(H2,12,13)
InChIKeyLCEWWTAMBKRSPJ-UHFFFAOYSA-N
XLogP2.53
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-(4-fluoro-3-methylphenyl)ethanimidamide
CID 169364929
N'-(4-iodophenyl)propanimidamide
CID 63173909
N'-(2,6-difluorophenyl)propanimidamide
CID 63178619
N'-(1,3-dihydro-2-benzofuran-5-yl)propanimidamide
CID 130500025
N'-(4-bromo-3-methoxyphenyl)propanimidamide
CID 82859122
2-chloro-N'-(3,5-difluoro-4-hydroxyphenyl)ethanimidamide
CID 169367099
N'-(4-phenylphenyl)propanimidamide
CID 63178783
2-chloro-N'-(3-chloro-4-fluorophenyl)ethanimidamide
CID 169369617
N'-[4-(methoxymethyl)phenyl]propanimidamide
CID 130496375
(E)-2,3-bis(3-fluoro-4-methylphenyl)but-2-enediamide
CID 71246699
N'-thiophen-3-ylpropanimidamide
CID 66353374
N'-(2-methylphenyl)propanimidamide;dihydrochloride
CID 175785501

Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-4-methylphenyl)propanimidamide?
The IUPAC name of N'-(3-fluoro-4-methylphenyl)propanimidamide (CID 63178981) is N'-(3-fluoro-4-methylphenyl)propanimidamide.
What is the SMILES notation for N'-(3-fluoro-4-methylphenyl)propanimidamide?
The canonical SMILES for N'-(3-fluoro-4-methylphenyl)propanimidamide is CC/C(N)=N\c1ccc(C)c(F)c1.
What is the InChIKey of N'-(3-fluoro-4-methylphenyl)propanimidamide?
The InChIKey is LCEWWTAMBKRSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-3-10(12)13-8-5-4-7(2)9(11)6-8/h4-6H,3H2,1-2H3,(H2,12,13).
What are the key properties of N'-(3-fluoro-4-methylphenyl)propanimidamide?
N'-(3-fluoro-4-methylphenyl)propanimidamide has a molecular weight of 180.23 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-4-methylphenyl)propanimidamide is sourced from PubChem (CID 63178981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).