N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide

C18H19BrClNO3 — CID 8963184

IUPACN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2Cl)cc1Br
InChIInChI=1S/C18H19BrClNO3/c1-11-4-6-15(20)17(8-11)24-10-18(22)21-12(2)13-5-7-16(23-3)14(19)9-13/h4-9,12H,10H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeySXKVSQBYYBLSIQ-GFCCVEGCSA-N
MW412.71 g/mol
LogP4.68
Rot. Bonds6

About N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide

N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide (PubChem CID 8963184) has the molecular formula C18H19BrClNO3 and a molecular weight of 412.71 g/mol. Its IUPAC name is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
PubChem CID8963184
Molecular FormulaC18H19BrClNO3
Molecular Weight412.71 g/mol
Exact Mass411.02
IUPAC NameN-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
SMILESCOc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2Cl)cc1Br
InChIInChI=1S/C18H19BrClNO3/c1-11-4-6-15(20)17(8-11)24-10-18(22)21-12(2)13-5-7-16(23-3)14(19)9-13/h4-9,12H,10H2,1-3H3,(H,21,22)/t12-/m1/s1
InChIKeySXKVSQBYYBLSIQ-GFCCVEGCSA-N
XLogP4.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-5-methylphenoxy)-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 24550405
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 8963294
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 8963319
N-[(1S)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(3-chlorophenoxy)acetamide
CID 8963314
2-(2-chloro-5-methylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 18096240
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-chloroacetamide
CID 43701574
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263709
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2-(4-fluorophenoxy)acetamide
CID 84884828
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18084333
N-butan-2-yl-2-(2-chloro-5-methylphenoxy)acetamide
CID 60623539
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide (CID 8963184) is N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide is COc1ccc([C@@H](C)NC(=O)COc2cc(C)ccc2Cl)cc1Br.
What is the InChIKey of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide?
The InChIKey is SXKVSQBYYBLSIQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19BrClNO3/c1-11-4-6-15(20)17(8-11)24-10-18(22)21-12(2)13-5-7-16(23-3)14(19)9-13/h4-9,12H,10H2,1-3H3,(H,21,22)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide?
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide has a molecular weight of 412.71 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide is sourced from PubChem (CID 8963184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).