4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide

C16H15BrClNO2 — CID 134014692

IUPAC4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H15BrClNO2/c1-19(2)16(20)12-5-3-11(4-6-12)10-21-15-8-7-13(18)9-14(15)17/h3-9H,10H2,1-2H3
InChIKeyMYEBABMVYFEMPR-UHFFFAOYSA-N
MW368.66 g/mol
LogP4.38
Rot. Bonds4

About 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide

4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide (PubChem CID 134014692) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide
PubChem CID134014692
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(COc2ccc(Cl)cc2Br)cc1
InChIInChI=1S/C16H15BrClNO2/c1-19(2)16(20)12-5-3-11(4-6-12)10-21-15-8-7-13(18)9-14(15)17/h3-9H,10H2,1-2H3
InChIKeyMYEBABMVYFEMPR-UHFFFAOYSA-N
XLogP4.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-chlorophenyl)methoxy]-3-methoxy-N,N-dimethylbenzamide
CID 27678333
4-[2-(2-bromo-4-chlorophenoxy)ethylamino]-N,N-dimethylbenzamide
CID 46666741
2-[4-[(2-bromo-4-chlorophenoxy)methyl]phenyl]acetohydrazide
CID 105351436
1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
4-[(2-bromo-4-chlorophenoxy)methyl]-3-chlorobenzoic acid
CID 102670133
2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 8807752
3-bromo-4-[(4-methylphenyl)methoxy]benzoic acid
CID 8706873
5-[(2-bromo-4-chlorophenoxy)methyl]-2-chloroaniline
CID 43349955
4-[(2,4-dibromophenoxy)methyl]benzoic acid
CID 43235934
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(2,4-dichlorophenoxy)methyl]-N-methylbenzamide
CID 19464554
methyl 3-(2-bromo-4-chlorophenoxy)propanoate
CID 43089216
methyl 4-[(4-chloro-2-methylphenoxy)methyl]benzoate
CID 28825626

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide (CID 134014692) is 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(COc2ccc(Cl)cc2Br)cc1.
What is the InChIKey of 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide?
The InChIKey is MYEBABMVYFEMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-19(2)16(20)12-5-3-11(4-6-12)10-21-15-8-7-13(18)9-14(15)17/h3-9H,10H2,1-2H3.
What are the key properties of 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide?
4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide has a molecular weight of 368.66 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-chlorophenoxy)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 134014692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).