4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide

C15H15FN2O — CID 43565816

IUPAC4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c16-13-3-1-2-11(10-13)8-9-18-15(19)12-4-6-14(17)7-5-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyMQCJEIAWTIULGL-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.38
Rot. Bonds4

About 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide

4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide (PubChem CID 43565816) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
PubChem CID43565816
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCc2cccc(F)c2)cc1
InChIInChI=1S/C15H15FN2O/c16-13-3-1-2-11(10-13)8-9-18-15(19)12-4-6-14(17)7-5-12/h1-7,10H,8-9,17H2,(H,18,19)
InChIKeyMQCJEIAWTIULGL-UHFFFAOYSA-N
XLogP2.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.38
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

4-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 9051887
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
7-N-[2-(3-fluorophenyl)ethyl]-2-N-hydroxynaphthalene-2,7-dicarboxamide
CID 87467122
N-[3-(4-aminophenyl)propyl]-3-fluorobenzamide
CID 39371536
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893
N-[2-(3-fluorophenyl)ethyl]-3-methoxy-4-methylbenzamide
CID 9182358
4-(tert-butylsulfamoyl)-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 29292702
3-amino-2-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115930156
N-[2-(3-fluorophenyl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 63866185
2-amino-3-chloro-N-[2-(3-fluorophenyl)ethyl]benzamide
CID 115540075
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide (CID 43565816) is 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide is Nc1ccc(C(=O)NCCc2cccc(F)c2)cc1.
What is the InChIKey of 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide?
The InChIKey is MQCJEIAWTIULGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c16-13-3-1-2-11(10-13)8-9-18-15(19)12-4-6-14(17)7-5-12/h1-7,10H,8-9,17H2,(H,18,19).
What are the key properties of 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide?
4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(3-fluorophenyl)ethyl]benzamide is sourced from PubChem (CID 43565816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).