N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

C16H12BrCl2NO2 — CID 1395964

IUPACN-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1c(Cl)cc(Cl)cc1C=CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrCl2NO2/c1-22-16-10(8-12(18)9-14(16)19)2-7-15(21)20-13-5-3-11(17)4-6-13/h2-9H,1H3,(H,20,21)
InChIKeyUAUBIBVHDPOMNZ-UHFFFAOYSA-N
MW401.09 g/mol
LogP5.42
Rot. Bonds4

About N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide

N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (PubChem CID 1395964) has the molecular formula C16H12BrCl2NO2 and a molecular weight of 401.09 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
PubChem CID1395964
Molecular FormulaC16H12BrCl2NO2
Molecular Weight401.09 g/mol
Exact Mass398.94
IUPAC NameN-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
SMILESCOc1c(Cl)cc(Cl)cc1C=CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C16H12BrCl2NO2/c1-22-16-10(8-12(18)9-14(16)19)2-7-15(21)20-13-5-3-11(17)4-6-13/h2-9H,1H3,(H,20,21)
InChIKeyUAUBIBVHDPOMNZ-UHFFFAOYSA-N
XLogP5.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.09
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-bromophenyl)-3-(3,5-dichloro-2-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

3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(propanoylamino)phenyl]prop-2-enamide
CID 1421909
(E)-N-(4-bromo-2-methylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1397404
N-(5-bromo-2-pyridinyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1396132
N-(4-butan-2-ylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 4676710
N-(3-acetylphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1422060
3-(3,5-dichloro-2-methoxyphenyl)-N-(2,4-dichlorophenyl)prop-2-enamide
CID 4004961
(E)-3-(3,5-dichloro-2-methoxyphenyl)-N-(2-methyl-1,3-dioxoisoindol-5-yl)prop-2-enamide
CID 1397507
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]prop-2-enamide
CID 4008558
3-chloro-N-[3-[[(E)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 2066848
N-(5-chloro-2-methoxyphenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide
CID 1421848
3-(3,5-dichloro-2-methoxyphenyl)-N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]prop-2-enamide
CID 3673753
methyl 2-[3-(3,5-dichloro-2-methoxyphenyl)prop-2-enoylamino]benzoate
CID 4203326

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The IUPAC name of N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide (CID 1395964) is N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is COc1c(Cl)cc(Cl)cc1C=CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
The InChIKey is UAUBIBVHDPOMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrCl2NO2/c1-22-16-10(8-12(18)9-14(16)19)2-7-15(21)20-13-5-3-11(17)4-6-13/h2-9H,1H3,(H,20,21).
What are the key properties of N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide?
N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide has a molecular weight of 401.09 g/mol, XLogP of 5.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 1395964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).