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

C16H16BrClN2O — CID 103581561

IUPACN-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide
SMILESO=C(CNCc1ccc(Br)c(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H16BrClN2O/c17-14-7-6-13(8-15(14)18)9-19-11-16(21)20-10-12-4-2-1-3-5-12/h1-8,19H,9-11H2,(H,20,21)
InChIKeyUQAIPAPRKRAHDO-UHFFFAOYSA-N
MW367.67 g/mol
LogP3.51
Rot. Bonds6

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

N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide (PubChem CID 103581561) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide
PubChem CID103581561
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide
SMILESO=C(CNCc1ccc(Br)c(Cl)c1)NCc1ccccc1
InChIInChI=1S/C16H16BrClN2O/c17-14-7-6-13(8-15(14)18)9-19-11-16(21)20-10-12-4-2-1-3-5-12/h1-8,19H,9-11H2,(H,20,21)
InChIKeyUQAIPAPRKRAHDO-UHFFFAOYSA-N
XLogP3.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-[(2,4-dichlorophenyl)methylamino]acetamide
CID 60647537
2-[(4-bromo-3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103581539
N-[(4-chlorophenyl)methyl]-2-[(3-methylphenyl)methylamino]acetamide
CID 108996725
N-benzyl-2-[(2-chloro-5-fluorophenyl)methylamino]acetamide
CID 102615525
2-[[(4-bromo-3-chlorophenyl)methylamino]methyl]phenol
CID 103581659
N-benzyl-2-[(3-chloro-2-fluorophenyl)methylamino]acetamide
CID 115695815
N-benzyl-2-[(5-chloro-2-hydroxyphenyl)methylamino]acetamide
CID 60972560
N-benzyl-2-[(5-bromofuran-2-yl)methylamino]acetamide
CID 54881657
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
N-benzyl-2-(2,4,6-trichloroanilino)acetamide
CID 28992616
2-(benzylamino)-N-[2-(3-chlorophenyl)ethyl]acetamide
CID 108996409
N-benzyl-2-(2-phenylethylamino)acetamide
CID 28829660

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide?
The IUPAC name of N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide (CID 103581561) is N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide.
What is the SMILES notation for N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide?
The canonical SMILES for N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide is O=C(CNCc1ccc(Br)c(Cl)c1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide?
The InChIKey is UQAIPAPRKRAHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c17-14-7-6-13(8-15(14)18)9-19-11-16(21)20-10-12-4-2-1-3-5-12/h1-8,19H,9-11H2,(H,20,21).
What are the key properties of N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide?
N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide has a molecular weight of 367.67 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide is sourced from PubChem (CID 103581561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).