2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C27H27BrN2O3 — CID 28637588

IUPAC2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)COc3ccc(-c4ccccc4)cc3Br)c2)CC1
InChIInChI=1S/C27H27BrN2O3/c1-19-12-14-30(15-13-19)27(32)22-8-5-9-23(16-22)29-26(31)18-33-25-11-10-21(17-24(25)28)20-6-3-2-4-7-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,29,31)
InChIKeyCOLGZOLYOPLOJQ-UHFFFAOYSA-N
MW507.43 g/mol
LogP6.01
Rot. Bonds6

About 2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 28637588) has the molecular formula C27H27BrN2O3 and a molecular weight of 507.43 g/mol. Its IUPAC name is 2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID28637588
Molecular FormulaC27H27BrN2O3
Molecular Weight507.43 g/mol
Exact Mass506.12
IUPAC Name2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2cccc(NC(=O)COc3ccc(-c4ccccc4)cc3Br)c2)CC1
InChIInChI=1S/C27H27BrN2O3/c1-19-12-14-30(15-13-19)27(32)22-8-5-9-23(16-22)29-26(31)18-33-25-11-10-21(17-24(25)28)20-6-3-2-4-7-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,29,31)
InChIKeyCOLGZOLYOPLOJQ-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-phenylphenoxy)-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 4960724
2-(1-bromonaphthalen-2-yl)oxy-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637403
2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637432
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethylbenzamide
CID 17230760
2-(2-bromo-4-phenylphenoxy)-N-[4-(morpholine-4-carbonyl)phenyl]acetamide
CID 17194781
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526
N-[3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231401
2-(4-phenylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161597
3-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-N-ethyl-N-phenylbenzamide
CID 17222016
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 26159412
2-(2-bromoanilino)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54816568

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 28637588) is 2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CC1CCN(C(=O)c2cccc(NC(=O)COc3ccc(-c4ccccc4)cc3Br)c2)CC1.
What is the InChIKey of 2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is COLGZOLYOPLOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27BrN2O3/c1-19-12-14-30(15-13-19)27(32)22-8-5-9-23(16-22)29-26(31)18-33-25-11-10-21(17-24(25)28)20-6-3-2-4-7-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,29,31).
What are the key properties of 2-(2-bromo-4-phenylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(2-bromo-4-phenylphenoxy)-N-[3-(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-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 28637588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).