(E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide

C19H19BrFNO — CID 18292787

IUPAC(E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide
SMILESCCc1ccc(CN(C)C(=O)/C=C/c2cc(Br)ccc2F)cc1
InChIInChI=1S/C19H19BrFNO/c1-3-14-4-6-15(7-5-14)13-22(2)19(23)11-8-16-12-17(20)9-10-18(16)21/h4-12H,3,13H2,1-2H3/b11-8+
InChIKeyHZSBZBQFUNQCBK-DHZHZOJOSA-N
MW376.27 g/mol
LogP4.82
Rot. Bonds5

About (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide

(E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide (PubChem CID 18292787) has the molecular formula C19H19BrFNO and a molecular weight of 376.27 g/mol. Its IUPAC name is (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide
PubChem CID18292787
Molecular FormulaC19H19BrFNO
Molecular Weight376.27 g/mol
Exact Mass375.06
IUPAC Name(E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide
SMILESCCc1ccc(CN(C)C(=O)/C=C/c2cc(Br)ccc2F)cc1
InChIInChI=1S/C19H19BrFNO/c1-3-14-4-6-15(7-5-14)13-22(2)19(23)11-8-16-12-17(20)9-10-18(16)21/h4-12H,3,13H2,1-2H3/b11-8+
InChIKeyHZSBZBQFUNQCBK-DHZHZOJOSA-N
XLogP4.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.27
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]-methylamino]methyl]-N-methylbenzamide
CID 8966677
(E)-3-(5-bromo-2-fluorophenyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylprop-2-enamide
CID 9107544
3-[3-(5-bromo-2-fluorophenyl)prop-2-enoyl-ethylamino]butanoic acid
CID 76950062
(E)-3-(2-bromophenyl)-N-[(3-fluorophenyl)methyl]-N-methylprop-2-enamide
CID 78781520
(E)-3-(5-bromo-2-fluorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 17440544
3-(5-bromo-2-fluorophenyl)-N-butan-2-ylprop-2-enamide
CID 73010614
3-[5-[[ethyl(methyl)amino]methyl]-2-fluorophenyl]prop-2-enoic acid
CID 54974830
N-[(4-bromophenyl)methyl]-N-methylhexa-2,4-dienamide
CID 60636157
(E)-3-[5-bromo-2-(difluoromethoxy)phenyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methylprop-2-enamide
CID 99141410
N-[(3,4-difluorophenyl)methyl]-N-methylbut-2-enamide
CID 112725264
5-bromo-2-chloro-N-[(4-ethylphenyl)methyl]-N-methylbenzamide
CID 60630930
(E)-3-(5-bromo-2-fluorophenyl)-1-(3-methylphenyl)prop-2-en-1-one
CID 19571082

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide (CID 18292787) is (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide is CCc1ccc(CN(C)C(=O)/C=C/c2cc(Br)ccc2F)cc1.
What is the InChIKey of (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide?
The InChIKey is HZSBZBQFUNQCBK-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H19BrFNO/c1-3-14-4-6-15(7-5-14)13-22(2)19(23)11-8-16-12-17(20)9-10-18(16)21/h4-12H,3,13H2,1-2H3/b11-8+.
What are the key properties of (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide?
(E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide has a molecular weight of 376.27 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromo-2-fluorophenyl)-N-[(4-ethylphenyl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 18292787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).