2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide

C15H13F3N2O — CID 62072492

IUPAC2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H13F3N2O/c1-20(8-9-2-3-10(16)6-13(9)18)15(21)12-5-4-11(17)7-14(12)19/h2-7H,8,19H2,1H3
InChIKeyFNXUYKFKDMIKOE-UHFFFAOYSA-N
MW294.28 g/mol
LogP2.96
Rot. Bonds3

About 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide

2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide (PubChem CID 62072492) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
PubChem CID62072492
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide
SMILESCN(Cc1ccc(F)cc1F)C(=O)c1ccc(F)cc1N
InChIInChI=1S/C15H13F3N2O/c1-20(8-9-2-3-10(16)6-13(9)18)15(21)12-5-4-11(17)7-14(12)19/h2-7H,8,19H2,1H3
InChIKeyFNXUYKFKDMIKOE-UHFFFAOYSA-N
XLogP2.96
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 52.96
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

2-amino-N-[(2,4-difluorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 107074426
N-[(2,4-difluorophenyl)methyl]-2,3-difluoro-N-methylbenzamide
CID 62649068
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
N-[(2,4-difluorophenyl)methyl]-4-(dimethylamino)-N-methylbenzamide
CID 134053299
N-[(2,4-difluorophenyl)methyl]-N-methyl-2-oxoacetamide
CID 115166392
2-amino-4-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 63109669
2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 55137012
4-amino-N-[(2,4-difluorophenyl)methyl]-N-methyl-3-nitrobenzamide
CID 38220259
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198
2-amino-N-[2-(diethylamino)-2-oxoethyl]-4-fluoro-N-methylbenzamide
CID 63110325
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylpropanamide
CID 60725238

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide (CID 62072492) is 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide is CN(Cc1ccc(F)cc1F)C(=O)c1ccc(F)cc1N.
What is the InChIKey of 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide?
The InChIKey is FNXUYKFKDMIKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-20(8-9-2-3-10(16)6-13(9)18)15(21)12-5-4-11(17)7-14(12)19/h2-7H,8,19H2,1H3.
What are the key properties of 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide?
2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide has a molecular weight of 294.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2,4-difluorophenyl)methyl]-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 62072492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).