2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide

C15H14BrClN2O — CID 66160120

IUPAC2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H14BrClN2O/c16-14-6-3-12(17)8-11(14)9-19-13-4-1-10(2-5-13)7-15(18)20/h1-6,8,19H,7,9H2,(H2,18,20)
InChIKeySPUSFIGKJNIFPY-UHFFFAOYSA-N
MW353.65 g/mol
LogP3.74
Rot. Bonds5

About 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide

2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide (PubChem CID 66160120) has the molecular formula C15H14BrClN2O and a molecular weight of 353.65 g/mol. Its IUPAC name is 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide
PubChem CID66160120
Molecular FormulaC15H14BrClN2O
Molecular Weight353.65 g/mol
Exact Mass352.00
IUPAC Name2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(NCc2cc(Cl)ccc2Br)cc1
InChIInChI=1S/C15H14BrClN2O/c16-14-6-3-12(17)8-11(14)9-19-13-4-1-10(2-5-13)7-15(18)20/h1-6,8,19H,7,9H2,(H2,18,20)
InChIKeySPUSFIGKJNIFPY-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.65
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[(2,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 103844946
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylaniline
CID 66160642
2-[4-[(3,5-dichlorophenyl)methylamino]phenyl]acetamide
CID 60790039
1-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]-3-methylurea
CID 66159553
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylsulfonylaniline
CID 66160835
N-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]methanesulfonamide
CID 66159928
N-[(2-bromo-5-chlorophenyl)methyl]-4-methoxyaniline
CID 66160837
4-[(2-bromo-5-chlorophenyl)methylamino]benzonitrile
CID 66159273
2-[4-[(2,4,5-trimethylphenyl)methylamino]phenyl]acetamide
CID 43786872
N-[(2-bromo-5-chlorophenyl)methyl]-3,4-dimethylaniline
CID 66161237
N-[(2-bromo-5-chlorophenyl)methyl]-4-chloro-3-fluoroaniline
CID 66159137
6-bromo-N-[(2-bromo-5-chlorophenyl)methyl]naphthalen-2-amine
CID 81265976

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide?
The IUPAC name of 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide (CID 66160120) is 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide is NC(=O)Cc1ccc(NCc2cc(Cl)ccc2Br)cc1.
What is the InChIKey of 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide?
The InChIKey is SPUSFIGKJNIFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O/c16-14-6-3-12(17)8-11(14)9-19-13-4-1-10(2-5-13)7-15(18)20/h1-6,8,19H,7,9H2,(H2,18,20).
What are the key properties of 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide?
2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide has a molecular weight of 353.65 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-bromo-5-chlorophenyl)methylamino]phenyl]acetamide is sourced from PubChem (CID 66160120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).