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

C17H17FN2O — CID 78776344

IUPACN-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCN(C)c1ccc(NC(=O)C=Cc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O/c1-20(2)16-9-7-15(8-10-16)19-17(21)11-6-13-4-3-5-14(18)12-13/h3-12H,1-2H3,(H,19,21)
InChIKeyDTDJSNACVXQZRA-UHFFFAOYSA-N
MW284.33 g/mol
LogP3.54
Rot. Bonds4

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

N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 78776344) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID78776344
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCN(C)c1ccc(NC(=O)C=Cc2cccc(F)c2)cc1
InChIInChI=1S/C17H17FN2O/c1-20(2)16-9-7-15(8-10-16)19-17(21)11-6-13-4-3-5-14(18)12-13/h3-12H,1-2H3,(H,19,21)
InChIKeyDTDJSNACVXQZRA-UHFFFAOYSA-N
XLogP3.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]phenyl]-N-methylcarbamate
CID 60578498
1-[4-(dimethylamino)phenyl]-3-[(E)-2-(3-fluorophenyl)ethenyl]urea
CID 108906262
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9033840
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46426355
3-(3-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 77042676
4-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzamide
CID 2677129
(E)-3-(3-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 39471692
(E)-N-[4-(diethylsulfamoyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 7760313
(E)-3-(3-fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]prop-2-enamide
CID 2678287
2-chloro-5-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]benzoic acid
CID 84555269
(E)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 9106601
(E)-3-(3-fluorophenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933927

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide (CID 78776344) is N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide is CN(C)c1ccc(NC(=O)C=Cc2cccc(F)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is DTDJSNACVXQZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20(2)16-9-7-15(8-10-16)19-17(21)11-6-13-4-3-5-14(18)12-13/h3-12H,1-2H3,(H,19,21).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide?
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 284.33 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 78776344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).