2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide

C16H15FN2O — CID 163711499

IUPAC2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide
SMILESC=C(NCc1ccc(-c2cccc(F)c2)cc1)C(N)=O
InChIInChI=1S/C16H15FN2O/c1-11(16(18)20)19-10-12-5-7-13(8-6-12)14-3-2-4-15(17)9-14/h2-9,19H,1,10H2,(H2,18,20)
InChIKeyKJQCJTYNRKPPQM-UHFFFAOYSA-N
MW270.31 g/mol
LogP2.58
Rot. Bonds5

About 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide

2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide (PubChem CID 163711499) has the molecular formula C16H15FN2O and a molecular weight of 270.31 g/mol. Its IUPAC name is 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide.

Molecular Properties

Compound Name2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide
PubChem CID163711499
Molecular FormulaC16H15FN2O
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC Name2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide
SMILESC=C(NCc1ccc(-c2cccc(F)c2)cc1)C(N)=O
InChIInChI=1S/C16H15FN2O/c1-11(16(18)20)19-10-12-5-7-13(8-6-12)14-3-2-4-15(17)9-14/h2-9,19H,1,10H2,(H2,18,20)
InChIKeyKJQCJTYNRKPPQM-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-fluorophenyl)phenyl]acetamide
CID 143262038
(2S)-2-[[4-(3-fluorophenyl)phenyl]methylamino]propanamide
CID 121266382
2-[4-(3-fluorophenyl)phenyl]acetic acid;methane
CID 67899912
3-amino-N-[[3-(3-fluorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408539
2-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]acetamide
CID 110477641
N-[[4-(aminomethyl)phenyl]methyl]-3-fluorobenzamide
CID 54936495
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762
2-fluoro-5-(3-fluorophenyl)benzamide
CID 46312277
N-benzyl-4-[[4-(3-fluorophenyl)phenyl]sulfonylamino]benzamide
CID 46386301
(Z)-3-[4-(3-fluorophenyl)phenyl]prop-2-enamide
CID 170876937
2-amino-3-[4-[4-amino-6-[[4-(3-fluorophenyl)phenyl]methylamino]-1,3,5-triazin-2-yl]phenyl]propanoic acid
CID 66823976
acetamide;ethane;N-[[4-(3-propylphenyl)phenyl]methyl]acetamide
CID 156747649

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide?
The IUPAC name of 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide (CID 163711499) is 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide.
What is the SMILES notation for 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide?
The canonical SMILES for 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide is C=C(NCc1ccc(-c2cccc(F)c2)cc1)C(N)=O.
What is the InChIKey of 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide?
The InChIKey is KJQCJTYNRKPPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O/c1-11(16(18)20)19-10-12-5-7-13(8-6-12)14-3-2-4-15(17)9-14/h2-9,19H,1,10H2,(H2,18,20).
What are the key properties of 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide?
2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide has a molecular weight of 270.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3-fluorophenyl)phenyl]methylamino]prop-2-enamide is sourced from PubChem (CID 163711499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).