2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C27H27BrN2O3 — CID 4960724

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(-c3ccccc3)cc2Br)CC1
InChIInChI=1S/C27H27BrN2O3/c1-19-13-15-30(16-14-19)27(32)22-9-5-6-10-24(22)29-26(31)18-33-25-12-11-21(17-23(25)28)20-7-3-2-4-8-20/h2-12,17,19H,13-16,18H2,1H3,(H,29,31)
InChIKeyXNLQAHQNUKTEQR-UHFFFAOYSA-N
MW507.43 g/mol
LogP6.01
Rot. Bonds6

About 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 4960724) has the molecular formula C27H27BrN2O3 and a molecular weight of 507.43 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID4960724
Molecular FormulaC27H27BrN2O3
Molecular Weight507.43 g/mol
Exact Mass506.12
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(-c3ccccc3)cc2Br)CC1
InChIInChI=1S/C27H27BrN2O3/c1-19-13-15-30(16-14-19)27(32)22-9-5-6-10-24(22)29-26(31)18-33-25-12-11-21(17-23(25)28)20-7-3-2-4-8-20/h2-12,17,19H,13-16,18H2,1H3,(H,29,31)
InChIKeyXNLQAHQNUKTEQR-UHFFFAOYSA-N
XLogP6.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.43
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939411
2-(2-bromo-4-phenylphenoxy)-N-[2-(morpholine-4-carbonyl)phenyl]acetamide
CID 4960710
2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637588
N-[2-(4-benzhydrylpiperazine-1-carbonyl)phenyl]-2-(2-bromo-4-phenylphenoxy)acetamide
CID 4960737
2-(4-chloro-2-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939353
2-(4-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939349
2-(2-bromo-4-ethylphenoxy)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 4932497
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939290
2-(4-chloro-3-methylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4939291
2-(2-bromo-4-phenylphenoxy)-N-(2-fluorophenyl)acetamide
CID 4960694
2-(2-bromo-4-phenylphenoxy)-N-[2-(2-methylprop-2-enoxy)phenyl]acetamide
CID 17113280
N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 4960724) is 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CC1CCN(C(=O)c2ccccc2NC(=O)COc2ccc(-c3ccccc3)cc2Br)CC1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is XNLQAHQNUKTEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN2O3/c1-19-13-15-30(16-14-19)27(32)22-9-5-6-10-24(22)29-26(31)18-33-25-12-11-21(17-23(25)28)20-7-3-2-4-8-20/h2-12,17,19H,13-16,18H2,1H3,(H,29,31).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 507.43 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 4960724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).