3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide

C16H16F2N2O — CID 79760394

IUPAC3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1c(F)ccc(N)c1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c1-2-13(10-6-4-3-5-7-10)20-16(21)14-11(17)8-9-12(19)15(14)18/h3-9,13H,2,19H2,1H3,(H,20,21)
InChIKeyPELBWNZJJRCIPH-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.43
Rot. Bonds4

About 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide

3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide (PubChem CID 79760394) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide
PubChem CID79760394
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC Name3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide
SMILESCCC(NC(=O)c1c(F)ccc(N)c1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c1-2-13(10-6-4-3-5-7-10)20-16(21)14-11(17)8-9-12(19)15(14)18/h3-9,13H,2,19H2,1H3,(H,20,21)
InChIKeyPELBWNZJJRCIPH-UHFFFAOYSA-N
XLogP3.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.43
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

3-amino-2,6-difluoro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861743
3,4,5-trifluoro-N-(1-phenylpropyl)benzamide
CID 63189526
3-amino-2,6-difluoro-N-(1-thiophen-2-ylbutyl)benzamide
CID 79758784
2-amino-6-methoxy-N-(1-phenylpropyl)benzamide
CID 81394668
1-N,4-N-bis(1-phenylpropyl)benzene-1,4-dicarboxamide
CID 43912072
5-amino-2-fluoro-3-methyl-N-(1-phenylpropyl)benzamide
CID 103296385
4-fluoro-N-[(1S)-1-phenylpropyl]benzamide
CID 781115
2-amino-N-[1-(4-chlorophenyl)propyl]benzamide
CID 61214980
2,6-difluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944481
2,6-difluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184322
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
3-amino-4-[(3,4-difluorophenyl)methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 69084666

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide?
The IUPAC name of 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide (CID 79760394) is 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide is CCC(NC(=O)c1c(F)ccc(N)c1F)c1ccccc1.
What is the InChIKey of 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide?
The InChIKey is PELBWNZJJRCIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-2-13(10-6-4-3-5-7-10)20-16(21)14-11(17)8-9-12(19)15(14)18/h3-9,13H,2,19H2,1H3,(H,20,21).
What are the key properties of 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide?
3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide has a molecular weight of 290.31 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-difluoro-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 79760394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).