N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide

C16H16F2N2O — CID 80506852

IUPACN-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
SMILESNC(CCNC(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c17-12-6-7-14(18)13(10-12)16(21)20-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2,(H,20,21)
InChIKeyMZHLBAPNECRICI-UHFFFAOYSA-N
MW290.31 g/mol
LogP2.78
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide

N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide (PubChem CID 80506852) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
PubChem CID80506852
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
SMILESNC(CCNC(=O)c1cc(F)ccc1F)c1ccccc1
InChIInChI=1S/C16H16F2N2O/c17-12-6-7-14(18)13(10-12)16(21)20-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2,(H,20,21)
InChIKeyMZHLBAPNECRICI-UHFFFAOYSA-N
XLogP2.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-amino-2-phenylethyl)-2,5-difluorobenzamide
CID 63120448
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide
CID 80506781
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
N-(3-chlorobutyl)-2,5-difluorobenzamide
CID 114301989
5-chloro-2-fluoro-N-(3-hydroxy-3-phenylpropyl)benzamide
CID 111471543
N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-4-methoxybutyl)-2,5-difluorobenzamide
CID 114163031
N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
CID 107990677
2,5-difluoro-N-[(2R)-2-phenylbutyl]benzamide
CID 26687345
2-fluoro-5-methyl-N-(3-phenylbutyl)benzamide
CID 62947552
2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 110665726
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide (CID 80506852) is N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide is NC(CCNC(=O)c1cc(F)ccc1F)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide?
The InChIKey is MZHLBAPNECRICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c17-12-6-7-14(18)13(10-12)16(21)20-9-8-15(19)11-4-2-1-3-5-11/h1-7,10,15H,8-9,19H2,(H,20,21).
What are the key properties of N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide?
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide has a molecular weight of 290.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide is sourced from PubChem (CID 80506852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).