N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide

C16H17FN2O — CID 39371536

IUPACN-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
SMILESNc1ccc(CCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c17-14-5-1-4-13(11-14)16(20)19-10-2-3-12-6-8-15(18)9-7-12/h1,4-9,11H,2-3,10,18H2,(H,19,20)
InChIKeySYHZXIFHWFKLCY-UHFFFAOYSA-N
MW272.32 g/mol
LogP2.77
Rot. Bonds5

About N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide

N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide (PubChem CID 39371536) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
PubChem CID39371536
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
SMILESNc1ccc(CCCNC(=O)c2cccc(F)c2)cc1
InChIInChI=1S/C16H17FN2O/c17-14-5-1-4-13(11-14)16(20)19-10-2-3-12-6-8-15(18)9-7-12/h1,4-9,11H,2-3,10,18H2,(H,19,20)
InChIKeySYHZXIFHWFKLCY-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 43565816
N-[2-(4-aminophenoxy)ethyl]-3-fluorobenzamide
CID 39373072
4-amino-N-(3-phenylpropyl)benzamide
CID 10658614
3-fluoro-N-[3-(methylamino)propyl]benzamide
CID 43600651
N-[3-[(5-amino-2-pyridinyl)amino]propyl]-3-fluorobenzamide
CID 82331113
N-(2-aminoethyl)-3-fluorobenzamide;hydrochloride
CID 175851405
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluorobenzamide
CID 16889405
3-fluoro-N-octadecylbenzamide
CID 91711883
3-amino-N-(4-phenylbutyl)benzamide;hydrochloride
CID 19353694
1-N-butyl-3-N-[2-(4-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109051094
N-(4-azidobutyl)-3-fluorobenzamide
CID 106386699
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide?
The IUPAC name of N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide (CID 39371536) is N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide.
What is the SMILES notation for N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide?
The canonical SMILES for N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide is Nc1ccc(CCCNC(=O)c2cccc(F)c2)cc1.
What is the InChIKey of N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide?
The InChIKey is SYHZXIFHWFKLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c17-14-5-1-4-13(11-14)16(20)19-10-2-3-12-6-8-15(18)9-7-12/h1,4-9,11H,2-3,10,18H2,(H,19,20).
What are the key properties of N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide?
N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide has a molecular weight of 272.32 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide is sourced from PubChem (CID 39371536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).