4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide

C19H21BrN2O3 — CID 55796575

IUPAC4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
SMILESCC(C)Oc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O3/c1-13(2)25-17-9-7-16(8-10-17)22-18(23)11-12-21-19(24)14-3-5-15(20)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOGLAOYAJQQYHTG-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.99
Rot. Bonds7

About 4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide

4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide (PubChem CID 55796575) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
PubChem CID55796575
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide
SMILESCC(C)Oc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C19H21BrN2O3/c1-13(2)25-17-9-7-16(8-10-17)22-18(23)11-12-21-19(24)14-3-5-15(20)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyOGLAOYAJQQYHTG-UHFFFAOYSA-N
XLogP3.99
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
4-bromo-N-[3-oxo-3-(4-phenoxyanilino)propyl]benzamide
CID 18230701
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-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
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
propan-2-yl 3-[3-[(4-bromobenzoyl)amino]propanoylamino]propanoate
CID 51256412
4-[[2-(4-bromophenoxy)acetyl]amino]-N-propylbenzamide
CID 17218749
N-(2-aminoethyl)-4-propan-2-yloxybenzamide
CID 82335676

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide (CID 55796575) is 4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide is CC(C)Oc1ccc(NC(=O)CCNC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide?
The InChIKey is OGLAOYAJQQYHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-13(2)25-17-9-7-16(8-10-17)22-18(23)11-12-21-19(24)14-3-5-15(20)6-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of 4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide?
4-bromo-N-[3-oxo-3-(4-propan-2-yloxyanilino)propyl]benzamide has a molecular weight of 405.29 g/mol, XLogP of 3.99, 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-propan-2-yloxyanilino)propyl]benzamide is sourced from PubChem (CID 55796575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).