5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide

C16H16F2N2O — CID 102705403

IUPAC5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2ccc(F)c(F)c2)cc1N
InChIInChI=1S/C16H16F2N2O/c1-9-5-10(2)15(19)7-12(9)16(21)20-8-11-3-4-13(17)14(18)6-11/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyUAOUVHKRAWCTMM-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.09
Rot. Bonds3

About 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide

5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide (PubChem CID 102705403) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound Name5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide
PubChem CID102705403
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide
SMILESCc1cc(C)c(C(=O)NCc2ccc(F)c(F)c2)cc1N
InChIInChI=1S/C16H16F2N2O/c1-9-5-10(2)15(19)7-12(9)16(21)20-8-11-3-4-13(17)14(18)6-11/h3-7H,8,19H2,1-2H3,(H,20,21)
InChIKeyUAOUVHKRAWCTMM-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.09
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

2-amino-4-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 79714917
3-amino-2-chloro-N-[(3,4-difluorophenyl)methyl]benzamide
CID 115930472
5-amino-N-[(3-cyanophenyl)methyl]-2,4-dimethylbenzamide
CID 102705125
5-chloro-N-[(3,4-difluorophenyl)methyl]-2-hydroxybenzamide
CID 60739890
N-[(3-fluoro-4-methylphenyl)methyl]-2,4-dimethylbenzamide
CID 34485315
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
4-amino-N-[(4-fluoro-3-methylphenyl)methyl]benzamide
CID 115161009
5-bromo-4-chloro-N-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 171463750
2-amino-N-[(3,4-difluorophenyl)methyl]-4-nitrobenzamide
CID 68813120
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
5-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-2,4-dimethylbenzamide
CID 102705675
N-[(3,4-difluorophenyl)methyl]-3-fluoro-2-hydrazinylbenzamide
CID 62661139

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide?
The IUPAC name of 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide (CID 102705403) is 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide.
What is the SMILES notation for 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide?
The canonical SMILES for 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide is Cc1cc(C)c(C(=O)NCc2ccc(F)c(F)c2)cc1N.
What is the InChIKey of 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide?
The InChIKey is UAOUVHKRAWCTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-9-5-10(2)15(19)7-12(9)16(21)20-8-11-3-4-13(17)14(18)6-11/h3-7H,8,19H2,1-2H3,(H,20,21).
What are the key properties of 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide?
5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(3,4-difluorophenyl)methyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 102705403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).