2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide

C18H21BrN2O2 — CID 54816652

IUPAC2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NC(=O)CNc2ccccc2Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-13(2)12-23-15-7-5-6-14(10-15)21-18(22)11-20-17-9-4-3-8-16(17)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyXRGXODUNTQRHQD-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.53
Rot. Bonds7

About 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide

2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide (PubChem CID 54816652) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
PubChem CID54816652
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC Name2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
SMILESCC(C)COc1cccc(NC(=O)CNc2ccccc2Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-13(2)12-23-15-7-5-6-14(10-15)21-18(22)11-20-17-9-4-3-8-16(17)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22)
InChIKeyXRGXODUNTQRHQD-UHFFFAOYSA-N
XLogP4.53
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
N-[3-(2-methoxyethoxy)phenyl]-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823718
2-(3-acetamidoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54831499
2-(3-ethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54826384
N-(2-methoxyphenyl)-2-[3-(2-methylpropoxy)anilino]acetamide
CID 54823826
2-(2,5-dimethoxyanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54813974
3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54823168
2-methyl-N-[4-[[2-[3-(2-methylpropoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830634
2-(2-chloroanilino)-N-[3-(3-methylbutoxy)phenyl]acetamide
CID 54810371
N-[3-(3-methylbutoxy)phenyl]-2-[2-(2-phenoxyethoxy)anilino]acetamide
CID 54827183
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468
N-[2-methyl-3-[[2-[3-(2-methylpropoxy)anilino]acetyl]amino]phenyl]propanamide
CID 54823522

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The IUPAC name of 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide (CID 54816652) is 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide is CC(C)COc1cccc(NC(=O)CNc2ccccc2Br)c1.
What is the InChIKey of 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
The InChIKey is XRGXODUNTQRHQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-13(2)12-23-15-7-5-6-14(10-15)21-18(22)11-20-17-9-4-3-8-16(17)19/h3-10,13,20H,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide?
2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide has a molecular weight of 377.28 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoanilino)-N-[3-(2-methylpropoxy)phenyl]acetamide is sourced from PubChem (CID 54816652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).