3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide

C16H16F2N2O — CID 61138218

IUPAC3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C16H16F2N2O/c1-2-20(10-11-4-3-5-13(17)8-11)16(21)12-6-7-14(18)15(19)9-12/h3-9H,2,10,19H2,1H3
InChIKeyCVVNSNZXURPBGS-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.21
Rot. Bonds4

About 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide

3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide (PubChem CID 61138218) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
PubChem CID61138218
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide
SMILESCCN(Cc1cccc(F)c1)C(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C16H16F2N2O/c1-2-20(10-11-4-3-5-13(17)8-11)16(21)12-6-7-14(18)15(19)9-12/h3-9H,2,10,19H2,1H3
InChIKeyCVVNSNZXURPBGS-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-3,4-difluorobenzamide
CID 43458956
N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylsulfanylbenzamide
CID 78800898
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
4-bromo-3-chloro-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 81294804
N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 78800954
3-amino-4-bromo-N-[(3-chlorophenyl)methyl]-N-ethylbenzamide
CID 61104847
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluorobenzamide
CID 43458961
4-(2-amino-2-oxoethoxy)-N-ethyl-N-[(3-fluorophenyl)methyl]-3-methoxybenzamide
CID 47011435
3-amino-4-chloro-N-ethyl-N-[(3-methylphenyl)methyl]benzamide
CID 60939220
4-chloro-3-(dimethylsulfamoyl)-N-ethyl-N-[(3-fluorophenyl)methyl]benzamide
CID 51189994
N-ethyl-N-[(3-fluorophenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 27861535
3-benzamido-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methylbenzamide
CID 46410054

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide?
The IUPAC name of 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide (CID 61138218) is 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide.
What is the SMILES notation for 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide?
The canonical SMILES for 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide is CCN(Cc1cccc(F)c1)C(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide?
The InChIKey is CVVNSNZXURPBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-20(10-11-4-3-5-13(17)8-11)16(21)12-6-7-14(18)15(19)9-12/h3-9H,2,10,19H2,1H3.
What are the key properties of 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide?
3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide 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 3-amino-N-ethyl-4-fluoro-N-[(3-fluorophenyl)methyl]benzamide is sourced from PubChem (CID 61138218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).