2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide

C16H15BrClNO2 — CID 12508715

IUPAC2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide
SMILESCN(C(=O)CBr)c1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9,16,21H,10H2,1H3
InChIKeyZBUPGYBLCAZDIX-UHFFFAOYSA-N
MW368.66 g/mol
LogP3.78
Rot. Bonds4

About 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide

2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide (PubChem CID 12508715) has the molecular formula C16H15BrClNO2 and a molecular weight of 368.66 g/mol. Its IUPAC name is 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide
PubChem CID12508715
Molecular FormulaC16H15BrClNO2
Molecular Weight368.66 g/mol
Exact Mass367.00
IUPAC Name2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide
SMILESCN(C(=O)CBr)c1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C16H15BrClNO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9,16,21H,10H2,1H3
InChIKeyZBUPGYBLCAZDIX-UHFFFAOYSA-N
XLogP3.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.66
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[2-[(2-bromoacetyl)-methylamino]phenyl]-N-methylacetamide
CID 146415746
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
ethyl 2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfinyl-2-[hydroxy(phenyl)methyl]anilino]acetate
CID 70329078
2-[4-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-[hydroxy(phenyl)methyl]anilino]acetamide
CID 58941377
3-(5-chloro-2-hydroxyphenyl)-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 2958205
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
CID 126837112
N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane
CID 142893163
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-3,4,5-triethoxybenzamide
CID 95733607
3-bromo-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733575
3-amino-N-(2,4-dichlorophenyl)-N-methylpropanamide
CID 28795222
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N,N-dimethylacetamide
CID 112777252

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide (CID 12508715) is 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide is CN(C(=O)CBr)c1ccc(Cl)cc1C(O)c1ccccc1.
What is the InChIKey of 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide?
The InChIKey is ZBUPGYBLCAZDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO2/c1-19(15(20)10-17)14-8-7-12(18)9-13(14)16(21)11-5-3-2-4-6-11/h2-9,16,21H,10H2,1H3.
What are the key properties of 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide?
2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide has a molecular weight of 368.66 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 12508715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).