2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide

C16H15BrClNO2 — CID 112792407

IUPAC2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO2/c1-19(10-12-3-2-4-14(18)9-12)16(20)11-21-15-7-5-13(17)6-8-15/h2-9H,10-11H2,1H3
InChIKeyXINHEEZGKMHKCG-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.14
Rot. Bonds5

About 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide

2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 112792407) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
PubChem CID112792407
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO2/c1-19(10-12-3-2-4-14(18)9-12)16(20)11-21-15-7-5-13(17)6-8-15/h2-9H,10-11H2,1H3
InChIKeyXINHEEZGKMHKCG-UHFFFAOYSA-N
XLogP4.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-methyl-2-(4-propoxyphenoxy)acetamide
CID 112792298
N-[(3-chlorophenyl)methyl]-2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylacetamide
CID 112792294
(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(3-chlorophenyl)methyl]amino]-N-methylpropanamide
CID 100616980
2-(4-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 78762272
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 17071181
2-(4-ethoxyphenoxy)-N-[(3-methoxyphenyl)methyl]-N-methylacetamide
CID 84601116
N-[(3-chlorophenyl)methyl]-2-(2-methoxy-4-methylphenoxy)-N-methylacetamide
CID 78770504
4-chloro-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 63309428
N-[(3-fluorophenyl)methyl]-N-methyl-2-(4-propan-2-ylphenoxy)acetamide
CID 112778017
4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 17459938
2,5-dibromo-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 114370543
N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
CID 30381222

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide (CID 112792407) is 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide is CN(Cc1cccc(Cl)c1)C(=O)COc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is XINHEEZGKMHKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-19(10-12-3-2-4-14(18)9-12)16(20)11-21-15-7-5-13(17)6-8-15/h2-9H,10-11H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide?
2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 368.66 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 112792407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).