4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide

C17H17FN2O — CID 60931867

IUPAC4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O/c1-2-11-19-17(21)13-7-9-15(10-8-13)20-12-14-5-3-4-6-16(14)18/h2-10,20H,1,11-12H2,(H,19,21)
InChIKeyPQUKGILNVCPHKR-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.35
Rot. Bonds6

About 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide

4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide (PubChem CID 60931867) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
PubChem CID60931867
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide
SMILESC=CCNC(=O)c1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C17H17FN2O/c1-2-11-19-17(21)13-7-9-15(10-8-13)20-12-14-5-3-4-6-16(14)18/h2-10,20H,1,11-12H2,(H,19,21)
InChIKeyPQUKGILNVCPHKR-UHFFFAOYSA-N
XLogP3.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyridine-3-carboxamide
CID 109223975
4-[(2-fluorophenyl)methylamino]-N-(2-hydroxyethyl)benzamide
CID 43742171
4-[(2-fluorophenyl)methylamino]-N-(3-hydroxypropyl)benzamide
CID 111601526
4-[(2,2-difluoroacetyl)amino]-N-prop-2-enylbenzamide
CID 103515175
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
N-[(2-fluorophenyl)methyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247875
6-[(2-fluorophenyl)methylamino]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109339637
1-[4-[(2-fluorophenyl)methylamino]phenyl]-N-prop-2-enylmethanesulfonamide
CID 84591032
methyl 2-[4-[(2-fluorophenyl)methylcarbamoyl]anilino]acetate
CID 47064166
4-(3,3-dimethylbutylamino)-N-prop-2-enylbenzamide
CID 55156001
1-N-[(2-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047183
N-prop-2-enyl-4-[4-(prop-2-enylcarbamoyl)phenyl]benzamide
CID 3714314

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide?
The IUPAC name of 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide (CID 60931867) is 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide is C=CCNC(=O)c1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide?
The InChIKey is PQUKGILNVCPHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-2-11-19-17(21)13-7-9-15(10-8-13)20-12-14-5-3-4-6-16(14)18/h2-10,20H,1,11-12H2,(H,19,21).
What are the key properties of 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide?
4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide has a molecular weight of 284.33 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methylamino]-N-prop-2-enylbenzamide is sourced from PubChem (CID 60931867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).