N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide

C16H14BrNO2 — CID 177034589

IUPACN-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESC=CC(=O)N(c1ccc(Br)cc1)c1ccc(OC)cc1
InChIInChI=1S/C16H14BrNO2/c1-3-16(19)18(13-6-4-12(17)5-7-13)14-8-10-15(20-2)11-9-14/h3-11H,1H2,2H3
InChIKeyWWVGUMFIDYLUFK-UHFFFAOYSA-N
MW332.20 g/mol
LogP4.31
Rot. Bonds4

About N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide

N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide (PubChem CID 177034589) has the molecular formula C16H14BrNO2 and a molecular weight of 332.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide
PubChem CID177034589
Molecular FormulaC16H14BrNO2
Molecular Weight332.20 g/mol
Exact Mass331.02
IUPAC NameN-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide
SMILESC=CC(=O)N(c1ccc(Br)cc1)c1ccc(OC)cc1
InChIInChI=1S/C16H14BrNO2/c1-3-16(19)18(13-6-4-12(17)5-7-13)14-8-10-15(20-2)11-9-14/h3-11H,1H2,2H3
InChIKeyWWVGUMFIDYLUFK-UHFFFAOYSA-N
XLogP4.31
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-N-(4-methoxyphenyl)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

1-bromo-4-methoxybenzene;chromium;formaldehyde
CID 173400891
N-[2-(4-methoxy-N-methylanilino)ethyl]-N-methylprop-2-enamide
CID 146106049
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
N-(4-methoxyphenyl)-N-(3-oxopentyl)prop-2-enamide
CID 101380942
4-bromo-N-(4-bromophenyl)-N-penta-1,3-dien-3-ylaniline
CID 123816813
N,N-bis(4-methoxyphenyl)-2-oxopropanamide;ethane
CID 143471525
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-methylsulfonylphenyl)prop-2-enamide
CID 90921896
4-aminophenol;1-bromo-4-methoxybenzene;4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenol
CID 164988135
(1S,2R)-1-(4-bromophenyl)-2-(4-methoxyphenyl)but-3-en-1-ol
CID 101336331
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-(4-propoxyphenyl)prop-2-enamide
CID 91098612
[3-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]-5-prop-2-enoyloxyphenyl] prop-2-enoate
CID 58876576
N-[4-(3-hydroxypropoxy)phenyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 91358633

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide (CID 177034589) is N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide is C=CC(=O)N(c1ccc(Br)cc1)c1ccc(OC)cc1.
What is the InChIKey of N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is WWVGUMFIDYLUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO2/c1-3-16(19)18(13-6-4-12(17)5-7-13)14-8-10-15(20-2)11-9-14/h3-11H,1H2,2H3.
What are the key properties of N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide?
N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 332.20 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-N-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 177034589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).