(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide

C15H20BrNO — CID 6024199

IUPAC(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
SMILESCCCCCCNC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO/c1-2-3-4-5-12-17-15(18)11-8-13-6-9-14(16)10-7-13/h6-11H,2-5,12H2,1H3,(H,17,18)/b11-8+
InChIKeyWPUDDVAFNBBNRK-DHZHZOJOSA-N
MW310.23 g/mol
LogP4.16
Rot. Bonds7

About (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide

(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide (PubChem CID 6024199) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
PubChem CID6024199
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC Name(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide
SMILESCCCCCCNC(=O)/C=C/c1ccc(Br)cc1
InChIInChI=1S/C15H20BrNO/c1-2-3-4-5-12-17-15(18)11-8-13-6-9-14(16)10-7-13/h6-11H,2-5,12H2,1H3,(H,17,18)/b11-8+
InChIKeyWPUDDVAFNBBNRK-DHZHZOJOSA-N
XLogP4.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
(E)-3-(4-chlorophenyl)-N-undecylprop-2-enamide
CID 6006406
3-(4-chlorophenyl)-N-decylprop-2-enamide
CID 4172877
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
3-(4-methoxyphenyl)-N-nonylprop-2-enamide
CID 4278604
N-butyl-3-(4-hydroxyphenyl)prop-2-enamide
CID 56978455
3-(3,4-dimethoxyphenyl)-N-hexadecylprop-2-enamide
CID 3419575
(E)-3-(3,4-dimethoxyphenyl)-N-nonylprop-2-enamide
CID 6075607
3-(4-fluorophenyl)-N-[8-[3-(4-fluorophenyl)prop-2-enoylamino]octyl]prop-2-enamide
CID 5142775
(E)-3-(4-bromophenyl)-N-[(E)-pent-3-enyl]prop-2-enamide
CID 115627994

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide?
The IUPAC name of (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide (CID 6024199) is (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide.
What is the SMILES notation for (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide?
The canonical SMILES for (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide is CCCCCCNC(=O)/C=C/c1ccc(Br)cc1.
What is the InChIKey of (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide?
The InChIKey is WPUDDVAFNBBNRK-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-2-3-4-5-12-17-15(18)11-8-13-6-9-14(16)10-7-13/h6-11H,2-5,12H2,1H3,(H,17,18)/b11-8+.
What are the key properties of (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide?
(E)-3-(4-bromophenyl)-N-hexylprop-2-enamide has a molecular weight of 310.23 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-bromophenyl)-N-hexylprop-2-enamide is sourced from PubChem (CID 6024199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).