N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide

C19H20BrNO2 — CID 5049931

IUPACN-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H20BrNO2/c1-2-3-13-23-18-10-7-15(8-11-18)9-12-19(22)21-17-6-4-5-16(20)14-17/h4-12,14H,2-3,13H2,1H3,(H,21,22)
InChIKeyLKLGHLXUWIHIOX-UHFFFAOYSA-N
MW374.28 g/mol
LogP5.28
Rot. Bonds7

About N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide

N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide (PubChem CID 5049931) has the molecular formula C19H20BrNO2 and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide
PubChem CID5049931
Molecular FormulaC19H20BrNO2
Molecular Weight374.28 g/mol
Exact Mass373.07
IUPAC NameN-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide
SMILESCCCCOc1ccc(C=CC(=O)Nc2cccc(Br)c2)cc1
InChIInChI=1S/C19H20BrNO2/c1-2-3-13-23-18-10-7-15(8-11-18)9-12-19(22)21-17-6-4-5-16(20)14-17/h4-12,14H,2-3,13H2,1H3,(H,21,22)
InChIKeyLKLGHLXUWIHIOX-UHFFFAOYSA-N
XLogP5.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.28
LogP ≤ 55.28
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'}

Analyze N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[3-(4-butoxyphenyl)prop-2-enoylamino]benzoate
CID 4138200
(E)-N-(3-butoxyphenyl)-3-phenylprop-2-enamide
CID 17094994
N-(3-methoxyphenyl)-3-(4-propoxyphenyl)prop-2-enamide
CID 2791655
3-(4-hydroxyphenyl)-N-(3-octadecoxyphenyl)prop-2-enamide
CID 54182223
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-3-(4-acetamidophenyl)-N-(3-bromophenyl)prop-2-enamide
CID 35437293
(E)-N-(3-acetylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 797467
(E)-N-[3-(2-ethoxyethoxy)phenyl]-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227161
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
(E)-3-(4-propoxyphenyl)-N-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 98823643
N-(2-bromo-4-methylphenyl)-3-(4-butoxyphenyl)prop-2-enamide
CID 3590404
3-(4-bromophenyl)-N-[3-[3-(4-bromophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4198412

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide?
The IUPAC name of N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide (CID 5049931) is N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide is CCCCOc1ccc(C=CC(=O)Nc2cccc(Br)c2)cc1.
What is the InChIKey of N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide?
The InChIKey is LKLGHLXUWIHIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrNO2/c1-2-3-13-23-18-10-7-15(8-11-18)9-12-19(22)21-17-6-4-5-16(20)14-17/h4-12,14H,2-3,13H2,1H3,(H,21,22).
What are the key properties of N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide?
N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide has a molecular weight of 374.28 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(4-butoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5049931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).