N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide

C24H19BrClNO4 — CID 69021146

IUPACN-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide
SMILESO=C(CBr)Nc1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H19BrClNO4/c25-15-22(28)27-21-11-8-18(14-20(21)23(29)16-4-2-1-3-5-16)24(30-12-13-31-24)17-6-9-19(26)10-7-17/h1-11,14H,12-13,15H2,(H,27,28)
InChIKeyIXAPXILRQAMJRW-UHFFFAOYSA-N
MW500.78 g/mol
LogP5.15
Rot. Bonds6

About N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide

N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide (PubChem CID 69021146) has the molecular formula C24H19BrClNO4 and a molecular weight of 500.78 g/mol. Its IUPAC name is N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide.

Molecular Properties

Compound NameN-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide
PubChem CID69021146
Molecular FormulaC24H19BrClNO4
Molecular Weight500.78 g/mol
Exact Mass499.02
IUPAC NameN-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide
SMILESO=C(CBr)Nc1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1C(=O)c1ccccc1
InChIInChI=1S/C24H19BrClNO4/c25-15-22(28)27-21-11-8-18(14-20(21)23(29)16-4-2-1-3-5-16)24(30-12-13-31-24)17-6-9-19(26)10-7-17/h1-11,14H,12-13,15H2,(H,27,28)
InChIKeyIXAPXILRQAMJRW-UHFFFAOYSA-N
XLogP5.15
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.78
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
2-(benzenesulfonyl)-N-(2-benzoyl-4-chlorophenyl)acetamide
CID 4653730
N-[2-(2-benzoyl-4-bromoanilino)-2-oxoethyl]-4-chlorobenzamide
CID 1104902
N-(2-benzoyl-4-chlorophenyl)-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 56501325
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl]-diethylazanium
CID 5113102
N-[4-[2-[(2-bromoacetyl)amino]-5-chlorobenzoyl]phenyl]-2,2,2-trifluoroacetamide
CID 12517307
N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide;hydrochloride
CID 3039234
N-(2-benzoyl-4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 1326741
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
N-(2-benzoyl-4-chlorophenyl)-4-phenylsulfanylbutanamide
CID 41085814
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
N-(2-benzoyl-4-chlorophenyl)-4-phenoxybutanamide
CID 19172248

Frequently Asked Questions

What is the IUPAC name of N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide?
The IUPAC name of N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide (CID 69021146) is N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide.
What is the SMILES notation for N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide?
The canonical SMILES for N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide is O=C(CBr)Nc1ccc(C2(c3ccc(Cl)cc3)OCCO2)cc1C(=O)c1ccccc1.
What is the InChIKey of N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide?
The InChIKey is IXAPXILRQAMJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrClNO4/c25-15-22(28)27-21-11-8-18(14-20(21)23(29)16-4-2-1-3-5-16)24(30-12-13-31-24)17-6-9-19(26)10-7-17/h1-11,14H,12-13,15H2,(H,27,28).
What are the key properties of N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide?
N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide has a molecular weight of 500.78 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-benzoyl-4-[2-(4-chlorophenyl)-1,3-dioxolan-2-yl]phenyl]-2-bromoacetamide is sourced from PubChem (CID 69021146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).