N-(3-amino-3-phenylpropyl)-3-fluorobenzamide

C16H17FN2O — CID 80506781

IUPACN-(3-amino-3-phenylpropyl)-3-fluorobenzamide
SMILESNC(CCNC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H17FN2O/c17-14-8-4-7-13(11-14)16(20)19-10-9-15(18)12-5-2-1-3-6-12/h1-8,11,15H,9-10,18H2,(H,19,20)
InChIKeyGSTVVCFKDXUGJC-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.65
Rot. Bonds5

About N-(3-amino-3-phenylpropyl)-3-fluorobenzamide

N-(3-amino-3-phenylpropyl)-3-fluorobenzamide (PubChem CID 80506781) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(3-amino-3-phenylpropyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-phenylpropyl)-3-fluorobenzamide
PubChem CID80506781
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(3-amino-3-phenylpropyl)-3-fluorobenzamide
SMILESNC(CCNC(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C16H17FN2O/c17-14-8-4-7-13(11-14)16(20)19-10-9-15(18)12-5-2-1-3-6-12/h1-8,11,15H,9-10,18H2,(H,19,20)
InChIKeyGSTVVCFKDXUGJC-UHFFFAOYSA-N
XLogP2.65
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-phenylpropyl)benzamide
CID 80506685
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719
N-(3-amino-3-phenylpropyl)-2,5-difluorobenzamide
CID 80506852
N-(3-amino-3-phenylpropyl)-4-chloro-3-fluorobenzamide
CID 107990677
N-(3-amino-3-phenylpropyl)-3,5-dihydroxybenzamide
CID 107705147
N-(3-amino-3-phenylpropyl)-3-hydroxy-4-methylbenzamide
CID 80507148
N-(3-amino-4-methoxybutyl)-3-fluorobenzamide
CID 106243471
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
3-fluoro-N-[2-[(3-methyl-1-phenylbutyl)amino]-2-oxoethyl]benzamide
CID 78802467
N-(3-amino-3-phenylpropyl)-2,5-dichlorobenzamide
CID 80507130
N-[3-(4-aminopentanoylamino)propyl]-3-fluorobenzamide
CID 120562623
N-[2-[(3-fluorobenzoyl)amino]ethyl]-3,4,5-trihydroxybenzamide
CID 108540166

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-phenylpropyl)-3-fluorobenzamide?
The IUPAC name of N-(3-amino-3-phenylpropyl)-3-fluorobenzamide (CID 80506781) is N-(3-amino-3-phenylpropyl)-3-fluorobenzamide.
What is the SMILES notation for N-(3-amino-3-phenylpropyl)-3-fluorobenzamide?
The canonical SMILES for N-(3-amino-3-phenylpropyl)-3-fluorobenzamide is NC(CCNC(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of N-(3-amino-3-phenylpropyl)-3-fluorobenzamide?
The InChIKey is GSTVVCFKDXUGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-8-4-7-13(11-14)16(20)19-10-9-15(18)12-5-2-1-3-6-12/h1-8,11,15H,9-10,18H2,(H,19,20).
What are the key properties of N-(3-amino-3-phenylpropyl)-3-fluorobenzamide?
N-(3-amino-3-phenylpropyl)-3-fluorobenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.65, 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)-3-fluorobenzamide is sourced from PubChem (CID 80506781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).