N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide

C17H15BrN2O3 — CID 108956143

IUPACN-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H15BrN2O3/c1-11(21)12-5-4-6-13(9-12)19-16(22)10-17(23)20-15-8-3-2-7-14(15)18/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyMHMNXSDNIKJPQQ-UHFFFAOYSA-N
MW375.22 g/mol
LogP3.62
Rot. Bonds5

About N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide

N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide (PubChem CID 108956143) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide
PubChem CID108956143
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC NameN-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide
SMILESCC(=O)c1cccc(NC(=O)CC(=O)Nc2ccccc2Br)c1
InChIInChI=1S/C17H15BrN2O3/c1-11(21)12-5-4-6-13(9-12)19-16(22)10-17(23)20-15-8-3-2-7-14(15)18/h2-9H,10H2,1H3,(H,19,22)(H,20,23)
InChIKeyMHMNXSDNIKJPQQ-UHFFFAOYSA-N
XLogP3.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-bromophenyl)-N-(3,4-difluorophenyl)propanediamide
CID 108956631
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
N-(3-acetylphenyl)propanamide
CID 903063
N'-(3-acetylphenyl)-N-benzylpropanediamide
CID 108945305
2-[[2-(2-bromoanilino)-2-oxoethyl]-methylamino]-N-(3-methylphenyl)acetamide
CID 9252643
2-(3-acetyl-N-methylsulfonylanilino)-N-(2-bromophenyl)acetamide
CID 2962960
N'-(2-bromophenyl)-N-(2-methylphenyl)propanediamide
CID 108952966
N-(3-acetylphenyl)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]sulfanylacetamide
CID 9422642
[2-(2-bromoanilino)-2-oxoethyl] 3-(ethoxycarbonylamino)benzoate
CID 46666565
N-(3-acetamidophenyl)-3-(2-bromoanilino)propanamide
CID 109041106
[2-(2-bromoanilino)-2-oxoethyl]-[2-(3-chloroanilino)-2-oxoethyl]-methylazanium
CID 9252675
N-(3-acetylphenyl)-2-(2-bromo-N-methylsulfonylanilino)acetamide
CID 1314993

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide?
The IUPAC name of N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide (CID 108956143) is N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide.
What is the SMILES notation for N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide?
The canonical SMILES for N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide is CC(=O)c1cccc(NC(=O)CC(=O)Nc2ccccc2Br)c1.
What is the InChIKey of N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide?
The InChIKey is MHMNXSDNIKJPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-11(21)12-5-4-6-13(9-12)19-16(22)10-17(23)20-15-8-3-2-7-14(15)18/h2-9H,10H2,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide?
N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide has a molecular weight of 375.22 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-N'-(2-bromophenyl)propanediamide is sourced from PubChem (CID 108956143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).