N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide

C17H16BrN3O3 — CID 108955491

IUPACN'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H16BrN3O3/c1-11(22)19-14-3-2-4-15(9-14)21-17(24)10-16(23)20-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyZWWHPEOUEOGYKR-UHFFFAOYSA-N
MW390.24 g/mol
LogP3.37
Rot. Bonds5

About N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide

N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide (PubChem CID 108955491) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide.

Molecular Properties

Compound NameN'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
PubChem CID108955491
Molecular FormulaC17H16BrN3O3
Molecular Weight390.24 g/mol
Exact Mass389.04
IUPAC NameN'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
SMILESCC(=O)Nc1cccc(NC(=O)CC(=O)Nc2ccc(Br)cc2)c1
InChIInChI=1S/C17H16BrN3O3/c1-11(22)19-14-3-2-4-15(9-14)21-17(24)10-16(23)20-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,22)(H,20,23)(H,21,24)
InChIKeyZWWHPEOUEOGYKR-UHFFFAOYSA-N
XLogP3.37
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
CID 6468047
methyl 3-[[3-(4-bromoanilino)-3-oxopropanoyl]amino]benzoate
CID 108955494
N'-(3-bromophenyl)-N-phenylpropanediamide
CID 108952873
N-(3-acetamidophenyl)-N'-(3,5-dichlorophenyl)propanediamide
CID 108956248
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
N-(4-bromophenyl)-3-methylbut-3-enamide
CID 68925920
N-(3-acetamidophenyl)-2-sulfanylacetamide
CID 60650093
N-[3-[[2-(4-bromophenyl)acetyl]amino]phenyl]propanamide
CID 46451248
N-(4-bromophenyl)-N'-(2,3-dimethylphenyl)propanediamide
CID 108953863
N-[2-(4-bromoanilino)-2-oxoethyl]-N'-(3-methylphenyl)oxamide
CID 3910644
4-(3-acetamidoanilino)-4-oxobutanoic acid
CID 825460
N-(4-acetamidophenyl)-2-(4-bromophenoxy)acetamide
CID 1097313

Frequently Asked Questions

What is the IUPAC name of N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide?
The IUPAC name of N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide (CID 108955491) is N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide.
What is the SMILES notation for N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide?
The canonical SMILES for N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide is CC(=O)Nc1cccc(NC(=O)CC(=O)Nc2ccc(Br)cc2)c1.
What is the InChIKey of N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide?
The InChIKey is ZWWHPEOUEOGYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-11(22)19-14-3-2-4-15(9-14)21-17(24)10-16(23)20-13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,22)(H,20,23)(H,21,24).
What are the key properties of N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide?
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide has a molecular weight of 390.24 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide is sourced from PubChem (CID 108955491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).