2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide

C18H19BrClNO2 — CID 7313472

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H19BrClNO2/c1-3-12(2)13-4-7-15(8-5-13)21-18(22)11-23-17-9-6-14(19)10-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyQMZLSEZKZOKNTP-LBPRGKRZSA-N
MW396.71 g/mol
LogP5.63
Rot. Bonds6

About 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide (PubChem CID 7313472) has the molecular formula C18H19BrClNO2 and a molecular weight of 396.71 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
PubChem CID7313472
Molecular FormulaC18H19BrClNO2
Molecular Weight396.71 g/mol
Exact Mass395.03
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C18H19BrClNO2/c1-3-12(2)13-4-7-15(8-5-13)21-18(22)11-23-17-9-6-14(19)10-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m0/s1
InChIKeyQMZLSEZKZOKNTP-LBPRGKRZSA-N
XLogP5.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.71
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-(4-butan-2-ylphenyl)acetamide
CID 4623642
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 7865772
2-(2,4-dibromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 2788023
2-(4-bromo-2-chlorophenoxy)-N-[4-(diethylamino)phenyl]acetamide
CID 1015139
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-ethylbenzamide
CID 17234319
2-[4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]phenyl]-N-methylacetamide
CID 35365453
4-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-methylbenzamide
CID 9289895
N-(4-acetylphenyl)-2-(2-bromo-4-butan-2-ylphenoxy)acetamide
CID 17189464
2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 723348
2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154711
ethyl 5-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-2-chlorobenzoate
CID 92646634

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide (CID 7313472) is 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide is CC[C@H](C)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
The InChIKey is QMZLSEZKZOKNTP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19BrClNO2/c1-3-12(2)13-4-7-15(8-5-13)21-18(22)11-23-17-9-6-14(19)10-16(17)20/h4-10,12H,3,11H2,1-2H3,(H,21,22)/t12-/m0/s1.
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide has a molecular weight of 396.71 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 7313472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).