2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide

C15H14BrClN2O2 — CID 2986518

IUPAC2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c16-11-2-4-12(5-3-11)19-8-10-1-6-14(13(17)7-10)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyZXRZMUTVNWSLIT-UHFFFAOYSA-N
MW369.65 g/mol
LogP3.58
Rot. Bonds6

About 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide

2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide (PubChem CID 2986518) has the molecular formula C15H14BrClN2O2 and a molecular weight of 369.65 g/mol. Its IUPAC name is 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide
PubChem CID2986518
Molecular FormulaC15H14BrClN2O2
Molecular Weight369.65 g/mol
Exact Mass367.99
IUPAC Name2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2ccc(Br)cc2)cc1Cl
InChIInChI=1S/C15H14BrClN2O2/c16-11-2-4-12(5-3-11)19-8-10-1-6-14(13(17)7-10)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20)
InChIKeyZXRZMUTVNWSLIT-UHFFFAOYSA-N
XLogP3.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.65
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide
CID 2992439
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088
2-[2-bromo-4-[(4-bromoanilino)methyl]phenoxy]-N-phenylacetamide
CID 3910734
2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]acetamide
CID 66525668
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[4-[(4-bromoanilino)methyl]-2-ethoxyphenoxy]-N-(4-chlorophenyl)acetamide
CID 4308481
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
2-(4-amino-2-chlorophenoxy)acetamide
CID 16790617
2-[2-chloro-4-[(4-ethylanilino)methyl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 3999969
2-[2-chloro-4-[(4-chloroanilino)methyl]phenoxy]-N-(3,4-dimethylphenyl)acetamide
CID 4553213
2-[2-chloro-4-[(3-chloro-4-methylanilino)methyl]phenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 126267103
2-[2-chloro-4-[(4-ethoxyanilino)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 5022437

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide?
The IUPAC name of 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide (CID 2986518) is 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide.
What is the SMILES notation for 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide?
The canonical SMILES for 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide is NC(=O)COc1ccc(CNc2ccc(Br)cc2)cc1Cl.
What is the InChIKey of 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide?
The InChIKey is ZXRZMUTVNWSLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClN2O2/c16-11-2-4-12(5-3-11)19-8-10-1-6-14(13(17)7-10)21-9-15(18)20/h1-7,19H,8-9H2,(H2,18,20).
What are the key properties of 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide?
2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide has a molecular weight of 369.65 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide is sourced from PubChem (CID 2986518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).