4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide

C14H12F2N2O — CID 115160992

IUPAC4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O/c1-18(13-8-10(15)4-7-12(13)16)14(19)9-2-5-11(17)6-3-9/h2-8H,17H2,1H3
InChIKeyFUABEPIEMVILFV-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.82
Rot. Bonds2

About 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide

4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide (PubChem CID 115160992) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide
PubChem CID115160992
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(N)cc1)c1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O/c1-18(13-8-10(15)4-7-12(13)16)14(19)9-2-5-11(17)6-3-9/h2-8H,17H2,1H3
InChIKeyFUABEPIEMVILFV-UHFFFAOYSA-N
XLogP2.82
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
4-amino-N-(3-chloro-2-fluorophenyl)-N-methylbenzamide
CID 126649358
N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
CID 115176272
N-[(4-aminophenyl)methyl]-4-fluoro-N-methylbenzamide
CID 43458159
4-amino-N-methyl-N-phenylbenzamide
CID 4306081
4-amino-N-(2-fluorophenyl)-3-hydroxy-N-methylbenzamide
CID 107075078
2-(aminomethyl)-N-(2,5-difluorophenyl)-N,3-dimethylbutanamide
CID 115187511
N-(2-fluorophenyl)-4-hydrazinyl-N-methylbenzamide
CID 62249119
4-amino-N-(2-cyanophenyl)-N-methylbenzamide
CID 54296865
4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide
CID 71458389
3-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001405
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide?
The IUPAC name of 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide (CID 115160992) is 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide.
What is the SMILES notation for 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide?
The canonical SMILES for 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide is CN(C(=O)c1ccc(N)cc1)c1cc(F)ccc1F.
What is the InChIKey of 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide?
The InChIKey is FUABEPIEMVILFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c1-18(13-8-10(15)4-7-12(13)16)14(19)9-2-5-11(17)6-3-9/h2-8H,17H2,1H3.
What are the key properties of 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide?
4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide has a molecular weight of 262.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-difluorophenyl)-N-methylbenzamide is sourced from PubChem (CID 115160992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).