2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide

C16H16BrClN2O — CID 102975677

IUPAC2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C16H16BrClN2O/c1-19-16(21)9-11-2-5-13(6-3-11)20-10-12-4-7-14(17)15(18)8-12/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyDCDJHQQFPMPWFP-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.00
Rot. Bonds5

About 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide

2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide (PubChem CID 102975677) has the molecular formula C16H16BrClN2O and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide
PubChem CID102975677
Molecular FormulaC16H16BrClN2O
Molecular Weight367.67 g/mol
Exact Mass366.01
IUPAC Name2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide
SMILESCNC(=O)Cc1ccc(NCc2ccc(Br)c(Cl)c2)cc1
InChIInChI=1S/C16H16BrClN2O/c1-19-16(21)9-11-2-5-13(6-3-11)20-10-12-4-7-14(17)15(18)8-12/h2-8,20H,9-10H2,1H3,(H,19,21)
InChIKeyDCDJHQQFPMPWFP-UHFFFAOYSA-N
XLogP4.00
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 ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(3-bromophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713933
2-[4-[(2,4-dichlorophenyl)methylamino]phenyl]-N-methylacetamide
CID 43713979
N-[(4-bromo-3-chlorophenyl)methyl]-4-methylsulfanylaniline
CID 114076365
N-methyl-2-[4-[(4-methylphenyl)methylamino]phenyl]acetamide
CID 43713951
2-[4-[(4-bromothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43714168
2-[4-[(5-chloro-2-hydroxyphenyl)methylamino]phenyl]-N-methylacetamide
CID 43714112
methyl 4-[(4-bromo-3-chloroanilino)methyl]benzoate
CID 103601527
4-[(4-bromo-3-chloroanilino)methyl]-5-methylfuran-2-carboxylic acid
CID 107613573
2-[4-[(5-chlorothiophen-2-yl)methylamino]phenyl]-N-methylacetamide
CID 43713887
tert-butyl N-[4-[[(4-bromo-3-chlorophenyl)methylamino]methyl]phenyl]carbamate
CID 114076676
2-[4-[(2-chloro-1,3-thiazol-5-yl)methylamino]phenyl]-N-methylacetamide
CID 168583841
N-(4-bromo-3-chlorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71284029

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide?
The IUPAC name of 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide (CID 102975677) is 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide is CNC(=O)Cc1ccc(NCc2ccc(Br)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide?
The InChIKey is DCDJHQQFPMPWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O/c1-19-16(21)9-11-2-5-13(6-3-11)20-10-12-4-7-14(17)15(18)8-12/h2-8,20H,9-10H2,1H3,(H,19,21).
What are the key properties of 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide?
2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide has a molecular weight of 367.67 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromo-3-chlorophenyl)methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 102975677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).