N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide

C16H16BrClN2O — CID 108998182

IUPACN-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
SMILESCc1cc(NC(=O)CNCc2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-11-8-14(6-7-15(11)17)20-16(21)10-19-9-12-2-4-13(18)5-3-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyVCRXHVNBZJGPEY-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.14
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide

N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide (PubChem CID 108998182) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
PubChem CID108998182
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
SMILESCc1cc(NC(=O)CNCc2ccc(Cl)cc2)ccc1Br
InChIInChI=1S/C16H16BrClN2O/c1-11-8-14(6-7-15(11)17)20-16(21)10-19-9-12-2-4-13(18)5-3-12/h2-8,19H,9-10H2,1H3,(H,20,21)
InChIKeyVCRXHVNBZJGPEY-UHFFFAOYSA-N
XLogP4.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998147
N-(4-bromo-3-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 100588730
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-4-chlorobenzamide
CID 9165169
N-(4-bromo-3-methylphenyl)-2-(2,4-dichlorophenyl)acetamide
CID 7959233
N-(4-bromo-3-methylphenyl)-2-[(2-methylphenyl)methylamino]acetamide
CID 108996610
N-(3-acetylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998163
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
3-[[2-(4-bromo-3-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 43466628
N-(4-bromo-3-methylphenyl)-3-(pyridin-4-ylmethylamino)propanamide
CID 109024054
N-(4-bromo-3-methylphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038475
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methylamino]acetamide
CID 108997773
N-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2,4-dichlorobenzamide
CID 24599976

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide (CID 108998182) is N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide is Cc1cc(NC(=O)CNCc2ccc(Cl)cc2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
The InChIKey is VCRXHVNBZJGPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-11-8-14(6-7-15(11)17)20-16(21)10-19-9-12-2-4-13(18)5-3-12/h2-8,19H,9-10H2,1H3,(H,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide?
N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide has a molecular weight of 367.67 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide is sourced from PubChem (CID 108998182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).