2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide

C18H20BrNO — CID 7299572

IUPAC2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO/c1-3-13(2)15-6-10-17(11-7-15)20-18(21)12-14-4-8-16(19)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyYDWBWZBUCBZOIW-CYBMUJFWSA-N
MW346.27 g/mol
LogP5.14
Rot. Bonds5

About 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide

2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide (PubChem CID 7299572) has the molecular formula C18H20BrNO and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
PubChem CID7299572
Molecular FormulaC18H20BrNO
Molecular Weight346.27 g/mol
Exact Mass345.07
IUPAC Name2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1
InChIInChI=1S/C18H20BrNO/c1-3-13(2)15-6-10-17(11-7-15)20-18(21)12-14-4-8-16(19)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1
InChIKeyYDWBWZBUCBZOIW-CYBMUJFWSA-N
XLogP5.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.27
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-N-[4-(1-hydroxyethyl)phenyl]acetamide
CID 91676875
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
4-bromo-N-(4-butan-2-ylphenyl)benzamide
CID 2842671
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-(4-bromophenyl)-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 16838362
5-bromo-N-(4-butan-2-ylphenyl)furan-2-carboxamide
CID 3111249
(2S)-2-(4-bromophenoxy)-N-[4-[(2S)-butan-2-yl]phenyl]propanamide
CID 2204242
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-fluorophenyl)acetamide
CID 2668849
[2-[4-[(2S)-butan-2-yl]anilino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705633

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide (CID 7299572) is 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide is CC[C@@H](C)c1ccc(NC(=O)Cc2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide?
The InChIKey is YDWBWZBUCBZOIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20BrNO/c1-3-13(2)15-6-10-17(11-7-15)20-18(21)12-14-4-8-16(19)9-5-14/h4-11,13H,3,12H2,1-2H3,(H,20,21)/t13-/m1/s1.
What are the key properties of 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide?
2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide has a molecular weight of 346.27 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 7299572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).