N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

C18H20BrClN2O4S — CID 30270464

IUPACN-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20BrClN2O4S/c1-3-10-26-15-7-5-14(6-8-15)22(27(2,24)25)12-18(23)21-13-4-9-16(19)17(20)11-13/h4-9,11H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyFVLQKPFPQXQQPE-UHFFFAOYSA-N
MW475.79 g/mol
LogP4.30
Rot. Bonds8

About N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide

N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (PubChem CID 30270464) has the molecular formula C18H20BrClN2O4S and a molecular weight of 475.79 g/mol. Its IUPAC name is N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
PubChem CID30270464
Molecular FormulaC18H20BrClN2O4S
Molecular Weight475.79 g/mol
Exact Mass474.00
IUPAC NameN-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
SMILESCCCOc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H20BrClN2O4S/c1-3-10-26-15-7-5-14(6-8-15)22(27(2,24)25)12-18(23)21-13-4-9-16(19)17(20)11-13/h4-9,11H,3,10,12H2,1-2H3,(H,21,23)
InChIKeyFVLQKPFPQXQQPE-UHFFFAOYSA-N
XLogP4.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.79
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30267320
N-(4-bromo-3-chlorophenyl)-2-(4-ethyl-N-methylsulfonylanilino)acetamide
CID 21372395
N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 2210102
N-(4-ethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30262204
N-(4-bromo-3-chlorophenyl)-2-(3,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 126261953
N-(4-bromo-3-chlorophenyl)-2-(N-(4-bromophenyl)sulfonyl-4-ethoxyanilino)acetamide
CID 126342108
N-(4-bromo-3-chlorophenyl)-2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126256629
2-(4-bromo-N-methylsulfonylanilino)-N-(3,4-dichlorophenyl)acetamide
CID 1295950
N-(2,5-dimethylphenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 30258326
2-(4-bromo-3-methyl-N-methylsulfonylanilino)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 1265075
ethyl 4-[[2-(4-bromo-N-methylsulfonylanilino)acetyl]amino]-2-chlorobenzoate
CID 28635517
N-(4-bromo-3-methylphenyl)-2-(3-chloro-4-methyl-N-methylsulfonylanilino)acetamide
CID 1338903

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The IUPAC name of N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide (CID 30270464) is N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is CCCOc1ccc(N(CC(=O)Nc2ccc(Br)c(Cl)c2)S(C)(=O)=O)cc1.
What is the InChIKey of N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
The InChIKey is FVLQKPFPQXQQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O4S/c1-3-10-26-15-7-5-14(6-8-15)22(27(2,24)25)12-18(23)21-13-4-9-16(19)17(20)11-13/h4-9,11H,3,10,12H2,1-2H3,(H,21,23).
What are the key properties of N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide?
N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide has a molecular weight of 475.79 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-chlorophenyl)-2-(N-methylsulfonyl-4-propoxyanilino)acetamide is sourced from PubChem (CID 30270464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).