2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

C18H19BrClNO3 — CID 9263709

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C18H19BrClNO3/c1-11-4-6-16(23-3)14(8-11)12(2)21-18(22)10-24-17-7-5-13(19)9-15(17)20/h4-9,12H,10H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeySDWXDAPENDPFBV-LBPRGKRZSA-N
MW412.71 g/mol
LogP4.68
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (PubChem CID 9263709) has the molecular formula C18H19BrClNO3 and a molecular weight of 412.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
PubChem CID9263709
Molecular FormulaC18H19BrClNO3
Molecular Weight412.71 g/mol
Exact Mass411.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)COc1ccc(Br)cc1Cl
InChIInChI=1S/C18H19BrClNO3/c1-11-4-6-16(23-3)14(8-11)12(2)21-18(22)10-24-17-7-5-13(19)9-15(17)20/h4-9,12H,10H2,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeySDWXDAPENDPFBV-LBPRGKRZSA-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
2-(2-bromo-4-fluorophenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262782
2-(2-bromo-4-methylphenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 40795239
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 51212376
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871
2-(4-bromo-2-chlorophenoxy)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 4633044
2-(3,5-dimethylphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9262533
2-(4-bromo-2-chlorophenoxy)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 2971113
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 8963184
2-(4-formyl-2-methoxyphenoxy)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 9263104
2-(4-bromo-2-chlorophenoxy)-N-[(4-methylphenyl)-phenylmethyl]acetamide
CID 43917017
2-(4-bromo-2-chlorophenoxy)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725921

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide (CID 9263709) is 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is COc1ccc(C)cc1[C@H](C)NC(=O)COc1ccc(Br)cc1Cl.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
The InChIKey is SDWXDAPENDPFBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19BrClNO3/c1-11-4-6-16(23-3)14(8-11)12(2)21-18(22)10-24-17-7-5-13(19)9-15(17)20/h4-9,12H,10H2,1-3H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]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 2-(4-bromo-2-chlorophenoxy)-N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 9263709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).