2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide

C17H19FN2O — CID 63110602

IUPAC2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C17H19FN2O/c1-10-4-5-11(2)15(8-10)12(3)20-17(21)14-7-6-13(18)9-16(14)19/h4-9,12H,19H2,1-3H3,(H,20,21)
InChIKeyAJBHWXJOPSFEDL-UHFFFAOYSA-N
MW286.35 g/mol
LogP3.52
Rot. Bonds3

About 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide

2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide (PubChem CID 63110602) has the molecular formula C17H19FN2O and a molecular weight of 286.35 g/mol. Its IUPAC name is 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
PubChem CID63110602
Molecular FormulaC17H19FN2O
Molecular Weight286.35 g/mol
Exact Mass286.15
IUPAC Name2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccc(F)cc2N)c1
InChIInChI=1S/C17H19FN2O/c1-10-4-5-11(2)15(8-10)12(3)20-17(21)14-7-6-13(18)9-16(14)19/h4-9,12H,19H2,1-3H3,(H,20,21)
InChIKeyAJBHWXJOPSFEDL-UHFFFAOYSA-N
XLogP3.52
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 53.52
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-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 17167985
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
CID 16560846
2-amino-4-fluoro-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 81355507
N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-3-fluorobenzamide
CID 841056
4-amino-N-[1-(2,5-dimethylphenyl)ethyl]-3-methylbenzamide
CID 43713071
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylbenzamide
CID 43297799
2-fluoro-4-methyl-N-[1-(2-methylphenyl)ethyl]benzamide
CID 79770895
3-amino-2,5-difluoro-N-[1-(2-methylphenyl)ethyl]benzamide
CID 107120653
N-[1-(2-aminophenyl)ethyl]-2-chloro-4-fluorobenzamide
CID 43297866
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide?
The IUPAC name of 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide (CID 63110602) is 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide?
The canonical SMILES for 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide is Cc1ccc(C)c(C(C)NC(=O)c2ccc(F)cc2N)c1.
What is the InChIKey of 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide?
The InChIKey is AJBHWXJOPSFEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O/c1-10-4-5-11(2)15(8-10)12(3)20-17(21)14-7-6-13(18)9-16(14)19/h4-9,12H,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide?
2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide has a molecular weight of 286.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide is sourced from PubChem (CID 63110602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).