4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide

C22H19BrN2O3 — CID 18230701

IUPAC4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O3/c23-17-8-6-16(7-9-17)22(27)24-15-14-21(26)25-18-10-12-20(13-11-18)28-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,24,27)(H,25,26)
InChIKeyQUZZAWOEMAJTJO-UHFFFAOYSA-N
MW439.31 g/mol
LogP5.00
Rot. Bonds7

About 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide

4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide (PubChem CID 18230701) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
PubChem CID18230701
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC Name4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H19BrN2O3/c23-17-8-6-16(7-9-17)22(27)24-15-14-21(26)25-18-10-12-20(13-11-18)28-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,24,27)(H,25,26)
InChIKeyQUZZAWOEMAJTJO-UHFFFAOYSA-N
XLogP5.00
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(4-methylphenoxy)anilino]-3-oxopropyl]benzamide
CID 24636986
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
CID 55796575
N-[3-(4-bromoanilino)-3-oxopropyl]-4-chlorobenzamide
CID 7946251
4-bromo-N-[3-oxo-3-[4-(2,2,2-trifluoroethoxy)anilino]propyl]benzamide
CID 134010315
4-(3-benzamidopropanoylamino)-N-(4-methoxyphenyl)benzamide
CID 8884300
N-[3-(4-bromoanilino)-3-oxopropyl]-4-nitrobenzamide
CID 2598747
N-[3-(4-bromoanilino)-3-oxopropyl]-4-(cyclopropanecarbonylamino)benzamide
CID 52718973
4-bromo-N-[(4-phenoxyphenyl)carbamothioyl]benzamide
CID 2385205
ethyl 4-(3-benzamidopropanoylamino)benzoate
CID 8885472
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
4-bromo-N-[2-[(2-phenoxyacetyl)amino]ethyl]benzamide
CID 38611489
N-[2-(4-bromoanilino)-2-oxoethyl]-4-(phenylcarbamoylamino)benzamide
CID 55960943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide (CID 18230701) is 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide is O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide?
The InChIKey is QUZZAWOEMAJTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c23-17-8-6-16(7-9-17)22(27)24-15-14-21(26)25-18-10-12-20(13-11-18)28-19-4-2-1-3-5-19/h1-13H,14-15H2,(H,24,27)(H,25,26).
What are the key properties of 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide?
4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide has a molecular weight of 439.31 g/mol, XLogP of 5.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide is sourced from PubChem (CID 18230701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).