2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide

C16H15BrClNO — CID 55328984

IUPAC2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO/c1-19(11-13-4-2-3-5-15(13)18)16(20)10-12-6-8-14(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyYRNDQQUETBUWDK-UHFFFAOYSA-N
MW352.66 g/mol
LogP4.30
Rot. Bonds4

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

2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 55328984) has the molecular formula C16H15BrClNO and a molecular weight of 352.66 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
PubChem CID55328984
Molecular FormulaC16H15BrClNO
Molecular Weight352.66 g/mol
Exact Mass351.00
IUPAC Name2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
SMILESCN(Cc1ccccc1Cl)C(=O)Cc1ccc(Br)cc1
InChIInChI=1S/C16H15BrClNO/c1-19(11-13-4-2-3-5-15(13)18)16(20)10-12-6-8-14(17)9-7-12/h2-9H,10-11H2,1H3
InChIKeyYRNDQQUETBUWDK-UHFFFAOYSA-N
XLogP4.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 78768556
2-(2-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 61117245
N-[(2-chlorophenyl)methyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605024
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 100794637
N-[(2-chlorophenyl)methyl]-2-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
CID 86907560
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
3-(4-aminophenyl)-N-[(2-chlorophenyl)methyl]-N-methylpropanamide
CID 61117836
1-[(2-chlorophenyl)methyl]-1-methylurea
CID 60703173
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
N-[2-(4-bromophenoxy)ethyl]-2-(2-chlorophenyl)-N-methylacetamide
CID 112793922
2-(4-acetamidophenyl)-N-[(4-bromophenyl)methyl]-N-methylacetamide
CID 32758175
N-[(2-chlorophenyl)methyl]-2-(2-chlorophenyl)sulfanyl-N-methylacetamide
CID 112790303

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide (CID 55328984) is 2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide is CN(Cc1ccccc1Cl)C(=O)Cc1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is YRNDQQUETBUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClNO/c1-19(11-13-4-2-3-5-15(13)18)16(20)10-12-6-8-14(17)9-7-12/h2-9H,10-11H2,1H3.
What are the key properties of 2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide?
2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 352.66 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 55328984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).