2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide

C19H21BrN2O3 — CID 54840337

IUPAC2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C19H21BrN2O3/c20-14-5-3-6-15(11-14)21-12-19(23)22-17-8-1-2-9-18(17)25-13-16-7-4-10-24-16/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2,(H,22,23)
InChIKeyAMTQYIBZYDZPPY-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.06
Rot. Bonds7

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

2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54840337) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54840337
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccccc1OCC1CCCO1
InChIInChI=1S/C19H21BrN2O3/c20-14-5-3-6-15(11-14)21-12-19(23)22-17-8-1-2-9-18(17)25-13-16-7-4-10-24-16/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2,(H,22,23)
InChIKeyAMTQYIBZYDZPPY-UHFFFAOYSA-N
XLogP4.06
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54838016
N-(2-ethoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828489
3-[[2-oxo-2-[2-(oxolan-2-ylmethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54838811
2-(4-methylanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54814177
2-(3-butan-2-yloxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54830103
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]benzamide
CID 54829835
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220
2-(2-ethoxyanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54817509
N-naphthalen-1-yl-2-[2-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829466
3-[[2-[2-(oxolan-2-ylmethoxy)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54829734
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
N-[2-(oxolan-2-ylmethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824189

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54840337) is 2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is O=C(CNc1cccc(Br)c1)Nc1ccccc1OCC1CCCO1.
What is the InChIKey of 2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is AMTQYIBZYDZPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c20-14-5-3-6-15(11-14)21-12-19(23)22-17-8-1-2-9-18(17)25-13-16-7-4-10-24-16/h1-3,5-6,8-9,11,16,21H,4,7,10,12-13H2,(H,22,23).
What are the key properties of 2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide has a molecular weight of 405.29 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54840337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).