2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

C19H21BrN2O3 — CID 54810968

IUPAC2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C19H21BrN2O3/c20-14-6-8-15(9-7-14)21-12-19(23)22-16-3-1-4-17(11-16)25-13-18-5-2-10-24-18/h1,3-4,6-9,11,18,21H,2,5,10,12-13H2,(H,22,23)
InChIKeyWBGHPEQIMJAMFU-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.06
Rot. Bonds7

About 2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide

2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (PubChem CID 54810968) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
PubChem CID54810968
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
SMILESO=C(CNc1ccc(Br)cc1)Nc1cccc(OCC2CCCO2)c1
InChIInChI=1S/C19H21BrN2O3/c20-14-6-8-15(9-7-14)21-12-19(23)22-16-3-1-4-17(11-16)25-13-18-5-2-10-24-18/h1,3-4,6-9,11,18,21H,2,5,10,12-13H2,(H,22,23)
InChIKeyWBGHPEQIMJAMFU-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

2-(4-chloroanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54810381
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
3-methyl-N-[4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]phenyl]butanamide
CID 54831706
N-(4-chlorophenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54829242
N-ethyl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54839143
2-[3-(oxolan-2-ylmethoxy)anilino]-N-(3-prop-2-enoxyphenyl)acetamide
CID 54828749
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-[3-(2-methylprop-2-enoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828653
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
N-butan-2-yl-4-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54834406
N-[3-(3-methylbutoxy)phenyl]-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828556
N-(3-heptoxyphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828366

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide (CID 54810968) is 2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is O=C(CNc1ccc(Br)cc1)Nc1cccc(OCC2CCCO2)c1.
What is the InChIKey of 2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
The InChIKey is WBGHPEQIMJAMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c20-14-6-8-15(9-7-14)21-12-19(23)22-16-3-1-4-17(11-16)25-13-18-5-2-10-24-18/h1,3-4,6-9,11,18,21H,2,5,10,12-13H2,(H,22,23).
What are the key properties of 2-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide?
2-(4-bromoanilino)-N-[3-(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-(4-bromoanilino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54810968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).