N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide

C13H12BrClN2OS — CID 43690201

IUPACN-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(Br)s2)cc1Cl
InChIInChI=1S/C13H12BrClN2OS/c1-8(18)17-12-4-2-9(6-11(12)15)16-7-10-3-5-13(14)19-10/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyYKTOETUZQTVNAY-UHFFFAOYSA-N
MW359.68 g/mol
LogP4.73
Rot. Bonds4

About N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide

N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide (PubChem CID 43690201) has the molecular formula C13H12BrClN2OS and a molecular weight of 359.68 g/mol. Its IUPAC name is N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide
PubChem CID43690201
Molecular FormulaC13H12BrClN2OS
Molecular Weight359.68 g/mol
Exact Mass357.95
IUPAC NameN-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2ccc(Br)s2)cc1Cl
InChIInChI=1S/C13H12BrClN2OS/c1-8(18)17-12-4-2-9(6-11(12)15)16-7-10-3-5-13(14)19-10/h2-6,16H,7H2,1H3,(H,17,18)
InChIKeyYKTOETUZQTVNAY-UHFFFAOYSA-N
XLogP4.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.68
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]carbamic acid
CID 141181051
N-[4-[(2-bromo-4-methylphenyl)methylamino]-2-chlorophenyl]acetamide
CID 115556688
1-[2-amino-5-[(5-bromothiophen-2-yl)methylamino]phenyl]ethanone
CID 113433041
N-[4-[(2-bromo-4-fluorophenyl)methylamino]-2-chlorophenyl]acetamide
CID 103817850
N-[2-chloro-4-[(5-methylfuran-2-yl)methylamino]phenyl]acetamide
CID 43690180
N-[3-[(5-bromothiophen-2-yl)methylamino]-4-methoxyphenyl]acetamide
CID 43715753
N-[2-chloro-4-[(2,4-dimethylphenyl)methylamino]phenyl]acetamide
CID 43690141
N-[2-chloro-4-[(3-hydroxyphenyl)methylamino]phenyl]acetamide
CID 43690205
N-[[5-[(4-acetamido-3-chlorophenyl)sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 16604918
N-[2-chloro-4-[(2-chloro-6-fluorophenyl)methylamino]phenyl]acetamide
CID 43690236
N-[2-chloro-4-[(2-hydroxy-3-methylphenyl)methylamino]phenyl]acetamide
CID 115904078
methyl 2-[(5-bromothiophen-2-yl)methylamino]-5-chlorobenzoate
CID 43678811

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide?
The IUPAC name of N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide (CID 43690201) is N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide is CC(=O)Nc1ccc(NCc2ccc(Br)s2)cc1Cl.
What is the InChIKey of N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide?
The InChIKey is YKTOETUZQTVNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2OS/c1-8(18)17-12-4-2-9(6-11(12)15)16-7-10-3-5-13(14)19-10/h2-6,16H,7H2,1H3,(H,17,18).
What are the key properties of N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide?
N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide has a molecular weight of 359.68 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-bromothiophen-2-yl)methylamino]-2-chlorophenyl]acetamide is sourced from PubChem (CID 43690201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).