(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide

C19H19BrFNO2 — CID 53267575

IUPAC(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H19BrFNO2/c1-2-3-12-24-18-7-5-4-6-14(18)8-11-19(23)22-17-10-9-15(20)13-16(17)21/h4-11,13H,2-3,12H2,1H3,(H,22,23)/b11-8+
InChIKeyHOEWRRGOZAKWDU-DHZHZOJOSA-N
MW392.27 g/mol
LogP5.42
Rot. Bonds7

About (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide

(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide (PubChem CID 53267575) has the molecular formula C19H19BrFNO2 and a molecular weight of 392.27 g/mol. Its IUPAC name is (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide
PubChem CID53267575
Molecular FormulaC19H19BrFNO2
Molecular Weight392.27 g/mol
Exact Mass391.06
IUPAC Name(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1F
InChIInChI=1S/C19H19BrFNO2/c1-2-3-12-24-18-7-5-4-6-14(18)8-11-19(23)22-17-10-9-15(20)13-16(17)21/h4-11,13H,2-3,12H2,1H3,(H,22,23)/b11-8+
InChIKeyHOEWRRGOZAKWDU-DHZHZOJOSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.27
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-2-fluorophenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 75997090
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
(E)-N-(4-bromo-2-fluorophenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 53267301
(E)-N-(4-bromo-2-fluorophenyl)-3-(2,3-dimethoxyphenyl)prop-2-enamide
CID 2111077
N-(4-bromo-2-fluorophenyl)-3-(2-chlorophenyl)prop-2-enamide
CID 4156225
4-acetamido-2-butoxy-5-[3-(2-fluorophenyl)prop-2-enoylamino]benzoic acid
CID 155680051
N-(4-bromo-2-fluorophenyl)-3-(5-bromo-2-methoxyphenyl)prop-2-enamide
CID 3990613
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340
methyl 4-acetamido-2-butoxy-5-[3-(2-fluorophenyl)prop-2-enoylamino]benzoate
CID 154637698
3-(2-butoxyphenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4992698
(E)-N-(2,4-dibromophenyl)-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 16591585
N-(4-bromo-2-fluorophenyl)-2-(2-formylphenoxy)acetamide
CID 17202089

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide (CID 53267575) is (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide is CCCCOc1ccccc1/C=C/C(=O)Nc1ccc(Br)cc1F.
What is the InChIKey of (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide?
The InChIKey is HOEWRRGOZAKWDU-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H19BrFNO2/c1-2-3-12-24-18-7-5-4-6-14(18)8-11-19(23)22-17-10-9-15(20)13-16(17)21/h4-11,13H,2-3,12H2,1H3,(H,22,23)/b11-8+.
What are the key properties of (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide?
(E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide has a molecular weight of 392.27 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-bromo-2-fluorophenyl)-3-(2-butoxyphenyl)prop-2-enamide is sourced from PubChem (CID 53267575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).