N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid

C15H15FN2O3 — CID 178102332

IUPACN-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid
SMILESCc1cccc(C(=O)Nc2ccc(F)cc2N)c1.O=CO
InChIInChI=1S/C14H13FN2O.CH2O2/c1-9-3-2-4-10(7-9)14(18)17-13-6-5-11(15)8-12(13)16;2-1-3/h2-8H,16H2,1H3,(H,17,18);1H,(H,2,3)
InChIKeyYTEGURJIFDQNJY-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.67
Rot. Bonds2

About N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid

N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid (PubChem CID 178102332) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid
PubChem CID178102332
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid
SMILESCc1cccc(C(=O)Nc2ccc(F)cc2N)c1.O=CO
InChIInChI=1S/C14H13FN2O.CH2O2/c1-9-3-2-4-10(7-9)14(18)17-13-6-5-11(15)8-12(13)16;2-1-3/h2-8H,16H2,1H3,(H,17,18);1H,(H,2,3)
InChIKeyYTEGURJIFDQNJY-UHFFFAOYSA-N
XLogP2.67
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-fluoro-2-methylphenyl)-3-methylbenzamide
CID 2550656
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552
N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
CID 107999853
N-(2-fluoro-4-iodophenyl)-3-methylbenzamide
CID 17102075
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-3-methylbenzamide
CID 9165041
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
N-(2-amino-4-fluorophenyl)pyridine-4-carboxamide
CID 16772506
N-[3-[(3-fluorobenzoyl)amino]phenyl]-3-methylbenzamide
CID 46785922
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-(3-amino-5-fluorophenyl)-3-methylbenzamide
CID 107334074
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
3-amino-N-(2,4-difluorophenyl)-4-methylbenzamide
CID 16784210

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid (CID 178102332) is N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid is Cc1cccc(C(=O)Nc2ccc(F)cc2N)c1.O=CO.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid?
The InChIKey is YTEGURJIFDQNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O.CH2O2/c1-9-3-2-4-10(7-9)14(18)17-13-6-5-11(15)8-12(13)16;2-1-3/h2-8H,16H2,1H3,(H,17,18);1H,(H,2,3).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid?
N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid has a molecular weight of 290.29 g/mol, XLogP of 2.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid is sourced from PubChem (CID 178102332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).