3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide

C14H12F2N2O — CID 16791308

IUPAC3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O/c1-8-10(3-2-4-12(8)17)14(19)18-13-6-5-9(15)7-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyWOLCCGPSMYBGNO-UHFFFAOYSA-N
MW262.26 g/mol
LogP3.11
Rot. Bonds2

About 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide

3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide (PubChem CID 16791308) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
PubChem CID16791308
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
SMILESCc1c(N)cccc1C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C14H12F2N2O/c1-8-10(3-2-4-12(8)17)14(19)18-13-6-5-9(15)7-11(13)16/h2-7H,17H2,1H3,(H,18,19)
InChIKeyWOLCCGPSMYBGNO-UHFFFAOYSA-N
XLogP3.11
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 53.11
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

3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
CID 16784018
3-amino-5-bromo-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 107872035
1-N,2-N-bis(2,4-difluorophenyl)benzene-1,2-dicarboxamide
CID 4062467
3-amino-N-(4-chloro-2-iodophenyl)-2-methylbenzamide
CID 107624186
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622
2-amino-4-fluoro-N-(2-fluoro-4-methylphenyl)benzamide
CID 63109760
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
CID 110484078
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide (CID 16791308) is 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide is Cc1c(N)cccc1C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide?
The InChIKey is WOLCCGPSMYBGNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-8-10(3-2-4-12(8)17)14(19)18-13-6-5-9(15)7-11(13)16/h2-7H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide?
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide has a molecular weight of 262.26 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide is sourced from PubChem (CID 16791308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).