N-(4-aminophenyl)-3-fluoro-5-methylbenzamide

C14H13FN2O — CID 113265229

IUPACN-(4-aminophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C14H13FN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-4-2-12(16)3-5-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyGWAUKAWIXSWFKE-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.97
Rot. Bonds2

About N-(4-aminophenyl)-3-fluoro-5-methylbenzamide

N-(4-aminophenyl)-3-fluoro-5-methylbenzamide (PubChem CID 113265229) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is N-(4-aminophenyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-3-fluoro-5-methylbenzamide
PubChem CID113265229
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC NameN-(4-aminophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccc(N)cc2)c1
InChIInChI=1S/C14H13FN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-4-2-12(16)3-5-13/h2-8H,16H2,1H3,(H,17,18)
InChIKeyGWAUKAWIXSWFKE-UHFFFAOYSA-N
XLogP2.97
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(4-hydroxyphenyl)-5-methylbenzamide
CID 113246156
3,5-difluoro-N-(4-methylphenyl)benzamide
CID 2111363
3,5-diamino-N-(3-fluoro-5-methylphenyl)benzamide
CID 79049078
N-(4-bromo-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 112695627
N-(4-bromo-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 113244608
4-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049661
3-fluoro-5-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 144890543
3,5-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 4785745
3-N-(4-aminophenyl)-1-N-(4-methylphenyl)benzene-1,3-dicarboxamide
CID 158719298
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
N-(4-amino-3-bromophenyl)-3,5-dimethylbenzamide
CID 82862075
N-(3-bromo-4-fluorophenyl)-3,5-dimethylbenzamide
CID 104779493

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(4-aminophenyl)-3-fluoro-5-methylbenzamide (CID 113265229) is N-(4-aminophenyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(4-aminophenyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(4-aminophenyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2ccc(N)cc2)c1.
What is the InChIKey of N-(4-aminophenyl)-3-fluoro-5-methylbenzamide?
The InChIKey is GWAUKAWIXSWFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-4-2-12(16)3-5-13/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(4-aminophenyl)-3-fluoro-5-methylbenzamide?
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide has a molecular weight of 244.27 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 113265229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).