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

C16H16BrClN2O — CID 115556688

IUPACN-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)cc2Br)cc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-10-3-4-12(14(17)7-10)9-19-13-5-6-16(15(18)8-13)20-11(2)21/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyUMLBIHATYJWEIS-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.98
Rot. Bonds4

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

N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide (PubChem CID 115556688) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
PubChem CID115556688
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC NameN-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(C)cc2Br)cc1Cl
InChIInChI=1S/C16H16BrClN2O/c1-10-3-4-12(14(17)7-10)9-19-13-5-6-16(15(18)8-13)20-11(2)21/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyUMLBIHATYJWEIS-UHFFFAOYSA-N
XLogP4.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850
N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
CID 115904078
N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide
CID 43690201
2-(4-acetamido-3-chloroanilino)-N-(2-bromo-4-methylphenyl)propanamide
CID 24614973
4-bromo-3-chloro-N-[(2-chloro-4-methylphenyl)methyl]aniline
CID 107619896
N-[4-[(2-bromo-4-methylphenyl)methylamino]phenyl]propanamide
CID 115556795
N-[2-chloro-4-[(5-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 43690180
N-[5-[(2-bromophenyl)methylamino]-2-methylphenyl]acetamide
CID 43735923
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-[2-chloro-4-(hexylamino)phenyl]acetamide
CID 43690140

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide (CID 115556688) is N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(NCc2ccc(C)cc2Br)cc1Cl.
What is the InChIKey of N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide?
The InChIKey is UMLBIHATYJWEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-10-3-4-12(14(17)7-10)9-19-13-5-6-16(15(18)8-13)20-11(2)21/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide?
N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide has a molecular weight of 367.67 g/mol, XLogP of 4.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide is sourced from PubChem (CID 115556688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).