2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C19H18BrClN2O3 — CID 26161547

IUPAC2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H18BrClN2O3/c20-14-6-7-17(16(21)11-14)26-12-18(24)22-15-5-3-4-13(10-15)19(25)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9,12H2,(H,22,24)
InChIKeyVNNZALUMHGDQFQ-UHFFFAOYSA-N
MW437.72 g/mol
LogP4.36
Rot. Bonds5

About 2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 26161547) has the molecular formula C19H18BrClN2O3 and a molecular weight of 437.72 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID26161547
Molecular FormulaC19H18BrClN2O3
Molecular Weight437.72 g/mol
Exact Mass436.02
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C19H18BrClN2O3/c20-14-6-7-17(16(21)11-14)26-12-18(24)22-15-5-3-4-13(10-15)19(25)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9,12H2,(H,22,24)
InChIKeyVNNZALUMHGDQFQ-UHFFFAOYSA-N
XLogP4.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.72
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-2-(4-bromo-2-chlorophenoxy)acetamide
CID 4937939
2-(4-bromo-2-methylphenoxy)-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 28637432
2-(4-chloro-3,5-dimethylphenoxy)-N-[3-(piperidine-1-carbonyl)phenyl]acetamide
CID 26168331
3-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]-N-propylbenzamide
CID 17222660
2-[2-chloro-4-(piperidine-1-carbothioyl)phenoxy]-N-phenylacetamide
CID 126259259
2-(4-bromo-2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154711
2-(4-phenylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 26161597
2-(2-bromo-4-ethylphenoxy)-N-[3-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 26157958
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-bromoanilino)acetamide
CID 54810997
N-[3-(azepane-1-carbonyl)phenyl]-2-(4-phenylphenoxy)acetamide
CID 26159412
5-bromo-2-butoxy-N-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 26161701
2-(2-bromo-4-chlorophenoxy)-N-(3-bromophenyl)acetamide
CID 19202088

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 26161547) is 2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is O=C(COc1ccc(Br)cc1Cl)Nc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is VNNZALUMHGDQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O3/c20-14-6-7-17(16(21)11-14)26-12-18(24)22-15-5-3-4-13(10-15)19(25)23-8-1-2-9-23/h3-7,10-11H,1-2,8-9,12H2,(H,22,24).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-(4-bromo-2-chlorophenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 437.72 g/mol, XLogP of 4.36, 5 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-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 26161547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).