N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide

C16H16F2N2O — CID 43458956

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-2-20(10-11-4-3-5-13(19)8-11)16(21)12-6-7-14(17)15(18)9-12/h3-9H,2,10,19H2,1H3
InChIKeyJKWVBJXIHLTYIY-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.21
Rot. Bonds4

About N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide

N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide (PubChem CID 43458956) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
PubChem CID43458956
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide
SMILESCCN(Cc1cccc(N)c1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H16F2N2O/c1-2-20(10-11-4-3-5-13(19)8-11)16(21)12-6-7-14(17)15(18)9-12/h3-9H,2,10,19H2,1H3
InChIKeyJKWVBJXIHLTYIY-UHFFFAOYSA-N
XLogP3.21
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.21
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-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
N-[(3-aminophenyl)methyl]-N-ethyl-4-iodobenzamide
CID 43458930
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
CID 61138218
N-[(3-aminophenyl)methyl]-N-ethylpyridine-4-carboxamide
CID 43459023
3-amino-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939211
N-[(3-aminophenyl)methyl]-4-chloro-N-propylbenzamide
CID 43459684
N-[(3-aminophenyl)methyl]-N-ethylpyrimidine-5-carboxamide
CID 102921247
N-[(3-aminophenyl)methyl]-N-ethyl-6-methylpyridine-3-carboxamide
CID 43458991
N-[(3-aminophenyl)methyl]-N-ethyl-3-fluoropyridine-4-carboxamide
CID 64948867
N-[(4-aminophenyl)methyl]-3-bromo-N-ethyl-4-fluorobenzamide
CID 107948752
N-[(3-aminophenyl)methyl]-N-ethyl-2-methylbenzamide
CID 43459006
3-amino-N-ethyl-N-(pyridin-4-ylmethyl)benzamide
CID 54905832

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide (CID 43458956) is N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide is CCN(Cc1cccc(N)c1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide?
The InChIKey is JKWVBJXIHLTYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-20(10-11-4-3-5-13(19)8-11)16(21)12-6-7-14(17)15(18)9-12/h3-9H,2,10,19H2,1H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide?
N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-3,4-difluorobenzamide is sourced from PubChem (CID 43458956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).