N-(2-aminophenyl)-3-fluoro-5-methylbenzamide

C14H13FN2O — CID 112701162

IUPACN-(2-aminophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C14H13FN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-5-3-2-4-12(13)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyCBQHQTAGIYKDDT-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.97
Rot. Bonds2

About N-(2-aminophenyl)-3-fluoro-5-methylbenzamide

N-(2-aminophenyl)-3-fluoro-5-methylbenzamide (PubChem CID 112701162) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is N-(2-aminophenyl)-3-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-3-fluoro-5-methylbenzamide
PubChem CID112701162
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC NameN-(2-aminophenyl)-3-fluoro-5-methylbenzamide
SMILESCc1cc(F)cc(C(=O)Nc2ccccc2N)c1
InChIInChI=1S/C14H13FN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-5-3-2-4-12(13)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeyCBQHQTAGIYKDDT-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': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-fluoro-5-methylbenzoyl)amino]benzoate
CID 115659778
N-(2-cyano-3-fluorophenyl)-3-fluoro-5-methylbenzamide
CID 115659818
N-(2-carbamothioyl-3-methylphenyl)-3-fluoro-5-methylbenzamide
CID 107805792
N-(4-aminophenyl)-3-fluoro-5-methylbenzamide
CID 113265229
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
N-(5-amino-2-fluorophenyl)-3,5-dimethylbenzamide
CID 16771732
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
N-(2-bromo-3-pyridinyl)-3-fluoro-5-methylbenzamide
CID 103819167
3,5-difluoro-N-(2-hydroxyphenyl)benzamide
CID 17396762
3-[(3-fluoro-5-methylbenzoyl)amino]pyridine-2-carboxylic acid
CID 104739659
N-(2-amino-4,5-dimethylphenyl)-3,5-difluorobenzamide
CID 62098085
N-(2-aminophenyl)-4-hydroxy-3-methylbenzamide
CID 107671931

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-3-fluoro-5-methylbenzamide?
The IUPAC name of N-(2-aminophenyl)-3-fluoro-5-methylbenzamide (CID 112701162) is N-(2-aminophenyl)-3-fluoro-5-methylbenzamide.
What is the SMILES notation for N-(2-aminophenyl)-3-fluoro-5-methylbenzamide?
The canonical SMILES for N-(2-aminophenyl)-3-fluoro-5-methylbenzamide is Cc1cc(F)cc(C(=O)Nc2ccccc2N)c1.
What is the InChIKey of N-(2-aminophenyl)-3-fluoro-5-methylbenzamide?
The InChIKey is CBQHQTAGIYKDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-9-6-10(8-11(15)7-9)14(18)17-13-5-3-2-4-12(13)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-(2-aminophenyl)-3-fluoro-5-methylbenzamide?
N-(2-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-(2-aminophenyl)-3-fluoro-5-methylbenzamide is sourced from PubChem (CID 112701162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).