N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide

C18H15BrClNO4 — CID 132604869

IUPACN-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide
SMILESCOc1ccc(C(=O)C(NC(=O)CCl)C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H15BrClNO4/c1-25-14-8-4-12(5-9-14)18(24)16(21-15(22)10-20)17(23)11-2-6-13(19)7-3-11/h2-9,16H,10H2,1H3,(H,21,22)
InChIKeyGRWOKKGOUGMJHF-UHFFFAOYSA-N
MW424.68 g/mol
LogP3.25
Rot. Bonds7

About N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide

N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide (PubChem CID 132604869) has the molecular formula C18H15BrClNO4 and a molecular weight of 424.68 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide
PubChem CID132604869
Molecular FormulaC18H15BrClNO4
Molecular Weight424.68 g/mol
Exact Mass422.99
IUPAC NameN-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide
SMILESCOc1ccc(C(=O)C(NC(=O)CCl)C(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C18H15BrClNO4/c1-25-14-8-4-12(5-9-14)18(24)16(21-15(22)10-20)17(23)11-2-6-13(19)7-3-11/h2-9,16H,10H2,1H3,(H,21,22)
InChIKeyGRWOKKGOUGMJHF-UHFFFAOYSA-N
XLogP3.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.68
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide 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

N-[bis(4-methoxyphenyl)methyl]-2-chloroacetamide
CID 4962456
(4-bromophenyl)-(4-methoxyphenyl)methanone
CID 794333
(2S)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 154100928
methyl (2R)-2-[(2-chloroacetyl)amino]-2-(4-methoxyphenyl)acetate
CID 166416138
3-(4-bromophenyl)-2-(4-methoxyphenyl)-3-oxopropanal
CID 16742886
methyl (3S)-3-[(2-chloroacetyl)amino]-4-(4-methoxyphenyl)butanoate
CID 167813974
2-chloro-N-[(2R)-1-hydroxy-3-(4-methoxyphenyl)propan-2-yl]acetamide
CID 118117352
4-bromo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2292601
N-[(1R)-1-(4-bromophenoxy)-2,2,2-trichloroethyl]-4-methoxybenzamide
CID 1243183
2,3-bis(4-methoxybenzoyl)-1,4-bis(4-methoxyphenyl)butane-1,4-dione
CID 3648673
(2S)-2-bromo-1,2-bis(4-methoxyphenyl)ethanone
CID 40529587
N-(4-bromophenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2214535

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide?
The IUPAC name of N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide (CID 132604869) is N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide.
What is the SMILES notation for N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide?
The canonical SMILES for N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide is COc1ccc(C(=O)C(NC(=O)CCl)C(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide?
The InChIKey is GRWOKKGOUGMJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClNO4/c1-25-14-8-4-12(5-9-14)18(24)16(21-15(22)10-20)17(23)11-2-6-13(19)7-3-11/h2-9,16H,10H2,1H3,(H,21,22).
What are the key properties of N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide?
N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide has a molecular weight of 424.68 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)-3-(4-methoxyphenyl)-1,3-dioxopropan-2-yl]-2-chloroacetamide is sourced from PubChem (CID 132604869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).