N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide

C16H16BrClN2O — CID 55365341

IUPACN-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CNc1ccccc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-20(11-12-6-2-3-7-13(12)17)16(21)10-19-15-9-5-4-8-14(15)18/h2-9,19H,10-11H2,1H3
InChIKeyVTYQNEODUCFLIB-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.17
Rot. Bonds5

About N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide

N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide (PubChem CID 55365341) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide
PubChem CID55365341
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide
SMILESCN(Cc1ccccc1Br)C(=O)CNc1ccccc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-20(11-12-6-2-3-7-13(12)17)16(21)10-19-15-9-5-4-8-14(15)18/h2-9,19H,10-11H2,1H3
InChIKeyVTYQNEODUCFLIB-UHFFFAOYSA-N
XLogP4.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
2-anilino-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 60683247
N-[(2-bromophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 60630835
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
N-[(2-chlorophenyl)methyl]-N-methyl-2-(methylamino)acetamide
CID 60686804
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-3-chlorobenzamide
CID 31215623
3-(2-bromophenyl)-N-[(2-bromophenyl)methyl]-N-methylpropanamide
CID 55833713
N-[(2-bromophenyl)methyl]-2-(cyclopentylamino)-N-methylacetamide
CID 60647343
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
N-[(2-bromophenyl)methyl]-N,3-dimethylbutanamide
CID 60630959
N-[(2-chlorophenyl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60683172

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide (CID 55365341) is N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide is CN(Cc1ccccc1Br)C(=O)CNc1ccccc1Cl.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide?
The InChIKey is VTYQNEODUCFLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-20(11-12-6-2-3-7-13(12)17)16(21)10-19-15-9-5-4-8-14(15)18/h2-9,19H,10-11H2,1H3.
What are the key properties of N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide?
N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide has a molecular weight of 367.67 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-(2-chloroanilino)-N-methylacetamide is sourced from PubChem (CID 55365341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).