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

C18H19FN2O — CID 9033840

IUPAC(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCN(C)c1ccc(CNC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O/c1-21(2)17-9-6-15(7-10-17)13-20-18(22)11-8-14-4-3-5-16(19)12-14/h3-12H,13H2,1-2H3,(H,20,22)/b11-8+
InChIKeyCBQLQHMAHKLWEZ-DHZHZOJOSA-N
MW298.36 g/mol
LogP3.22
Rot. Bonds5

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

(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide (PubChem CID 9033840) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is (E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide
PubChem CID9033840
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide
SMILESCN(C)c1ccc(CNC(=O)/C=C/c2cccc(F)c2)cc1
InChIInChI=1S/C18H19FN2O/c1-21(2)17-9-6-15(7-10-17)13-20-18(22)11-8-14-4-3-5-16(19)12-14/h3-12H,13H2,1-2H3,(H,20,22)/b11-8+
InChIKeyCBQLQHMAHKLWEZ-DHZHZOJOSA-N
XLogP3.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 9303701
(E)-3-(3-fluorophenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 2478274
N-[4-(dimethylamino)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 78776344
3-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]benzoic acid
CID 84761715
(E)-N-[4-(dimethylamino)-2-(trifluoromethyl)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46426355
methyl 5-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]-2-methoxybenzoate
CID 51156548
(E)-N-[4-(dimethylamino)butyl]-3-(3-fluorophenyl)prop-2-enamide
CID 84563566
(E)-3-(3-fluorophenyl)-N-[(6-methyl-2-pyridinyl)methyl]prop-2-enamide
CID 86820691
(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46540605
(E)-3-(3-fluorophenyl)-N-[4-[[(2,2,2-trifluoroacetyl)amino]methyl]phenyl]prop-2-enamide
CID 108933927
tert-butyl N-[3-[4-[[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]methyl]anilino]-3-oxopropyl]carbamate
CID 108920707
N-[(2-chlorophenyl)methyl]-3-(3-fluorophenyl)prop-2-enamide
CID 4810781

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide?
The IUPAC name of (E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide (CID 9033840) is (E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide is CN(C)c1ccc(CNC(=O)/C=C/c2cccc(F)c2)cc1.
What is the InChIKey of (E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide?
The InChIKey is CBQLQHMAHKLWEZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C18H19FN2O/c1-21(2)17-9-6-15(7-10-17)13-20-18(22)11-8-14-4-3-5-16(19)12-14/h3-12H,13H2,1-2H3,(H,20,22)/b11-8+.
What are the key properties of (E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide?
(E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide has a molecular weight of 298.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluorophenyl)prop-2-enamide is sourced from PubChem (CID 9033840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).