(E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide

C19H20F2N2O — CID 42907058

IUPAC(E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(N(C)C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O/c1-13(17-10-7-15(20)12-18(17)21)22-19(24)11-6-14-4-8-16(9-5-14)23(2)3/h4-13H,1-3H3,(H,22,24)/b11-6+
InChIKeyNDQQYKNDWAYWCS-IZZDOVSWSA-N
MW330.38 g/mol
LogP3.92
Rot. Bonds5

About (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide

(E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide (PubChem CID 42907058) has the molecular formula C19H20F2N2O and a molecular weight of 330.38 g/mol. Its IUPAC name is (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
PubChem CID42907058
Molecular FormulaC19H20F2N2O
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name(E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccc(N(C)C)cc1)c1ccc(F)cc1F
InChIInChI=1S/C19H20F2N2O/c1-13(17-10-7-15(20)12-18(17)21)22-19(24)11-6-14-4-8-16(9-5-14)23(2)3/h4-13H,1-3H3,(H,22,24)/b11-6+
InChIKeyNDQQYKNDWAYWCS-IZZDOVSWSA-N
XLogP3.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]-3-(3-fluorophenyl)prop-2-enamide
CID 8782179
(E)-3-(4-fluorophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]prop-2-enamide
CID 133217649
(E)-3-(5-bromothiophen-2-yl)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]prop-2-enamide
CID 9221155
3-[4-(dimethylamino)phenyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 79252202
(E)-N-[(2R)-butan-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39399219
N-[1-(2,4-difluorophenyl)ethyl]-2-oxopropanamide
CID 70339940
(2R)-2-[3-[4-(dimethylamino)phenyl]prop-2-enoylamino]-3-methylbutanoic acid
CID 79009478
(E)-3-[4-(dimethylamino)phenyl]-N-hydroxyprop-2-enamide
CID 11956153
(E)-3-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]prop-2-enamide
CID 42990101
(E)-N-[1-(4-fluorophenyl)ethyl]-3-(4-methylphenyl)prop-2-enamide
CID 43907234
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetamide
CID 9429425
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide (CID 42907058) is (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide is CC(NC(=O)/C=C/c1ccc(N(C)C)cc1)c1ccc(F)cc1F.
What is the InChIKey of (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
The InChIKey is NDQQYKNDWAYWCS-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H20F2N2O/c1-13(17-10-7-15(20)12-18(17)21)22-19(24)11-6-14-4-8-16(9-5-14)23(2)3/h4-13H,1-3H3,(H,22,24)/b11-6+.
What are the key properties of (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide?
(E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide has a molecular weight of 330.38 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(2,4-difluorophenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide is sourced from PubChem (CID 42907058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).