N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide

C16H16F2N2O — CID 43549195

IUPACN-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O/c1-10(11-4-3-5-13(19)8-11)20(2)16(21)14-9-12(17)6-7-15(14)18/h3-10H,19H2,1-2H3
InChIKeyQVJOCGFLYUXBJI-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.38
Rot. Bonds3

About N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide

N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide (PubChem CID 43549195) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
PubChem CID43549195
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide
SMILESCC(c1cccc(N)c1)N(C)C(=O)c1cc(F)ccc1F
InChIInChI=1S/C16H16F2N2O/c1-10(11-4-3-5-13(19)8-11)20(2)16(21)14-9-12(17)6-7-15(14)18/h3-10H,19H2,1-2H3
InChIKeyQVJOCGFLYUXBJI-UHFFFAOYSA-N
XLogP3.38
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.38
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

5-amino-2-fluoro-N-methyl-N-(1-phenylethyl)benzamide
CID 61111567
N-[1-(3-aminophenyl)ethyl]-2,3-dichloro-N-methylbenzamide
CID 43549226
N-[1-(3-aminophenyl)ethyl]-2,4-dibromo-N-methylbenzamide
CID 107937424
2-amino-N-[1-(3,4-difluorophenyl)ethyl]-N-methylbenzamide
CID 60952393
2-fluoro-N-methyl-5-(methylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 56532417
5-fluoro-2-methoxy-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 166382855
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
N-[1-(3-aminophenyl)ethyl]-N-methylfuran-3-carboxamide
CID 43549249
2-amino-N-[1-(4-chlorophenyl)ethyl]-3-fluoro-N-methylbenzamide
CID 62979803
N-[1-(3-aminophenyl)ethyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63024056
N-[1-(3-chlorophenyl)ethyl]-2-fluoro-4-hydroxy-N-methylbenzamide
CID 104928613
5-chloro-2-fluoro-N-methyl-N-(1-pyridin-3-ylethyl)benzamide
CID 77080919

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide?
The IUPAC name of N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide (CID 43549195) is N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide.
What is the SMILES notation for N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide?
The canonical SMILES for N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide is CC(c1cccc(N)c1)N(C)C(=O)c1cc(F)ccc1F.
What is the InChIKey of N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide?
The InChIKey is QVJOCGFLYUXBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10(11-4-3-5-13(19)8-11)20(2)16(21)14-9-12(17)6-7-15(14)18/h3-10H,19H2,1-2H3.
What are the key properties of N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide?
N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-aminophenyl)ethyl]-2,5-difluoro-N-methylbenzamide is sourced from PubChem (CID 43549195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).