N'-(3-bromophenyl)-N-phenylpropanediamide

C15H13BrN2O2 — CID 108952873

IUPACN'-(3-bromophenyl)-N-phenylpropanediamide
SMILESO=C(CC(=O)Nc1cccc(Br)c1)Nc1ccccc1
InChIInChI=1S/C15H13BrN2O2/c16-11-5-4-8-13(9-11)18-15(20)10-14(19)17-12-6-2-1-3-7-12/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyNKRVAUJIJJJRQT-UHFFFAOYSA-N
MW333.19 g/mol
LogP3.42
Rot. Bonds4

About N'-(3-bromophenyl)-N-phenylpropanediamide

N'-(3-bromophenyl)-N-phenylpropanediamide (PubChem CID 108952873) has the molecular formula C15H13BrN2O2 and a molecular weight of 333.19 g/mol. Its IUPAC name is N'-(3-bromophenyl)-N-phenylpropanediamide.

Molecular Properties

Compound NameN'-(3-bromophenyl)-N-phenylpropanediamide
PubChem CID108952873
Molecular FormulaC15H13BrN2O2
Molecular Weight333.19 g/mol
Exact Mass332.02
IUPAC NameN'-(3-bromophenyl)-N-phenylpropanediamide
SMILESO=C(CC(=O)Nc1cccc(Br)c1)Nc1ccccc1
InChIInChI=1S/C15H13BrN2O2/c16-11-5-4-8-13(9-11)18-15(20)10-14(19)17-12-6-2-1-3-7-12/h1-9H,10H2,(H,17,19)(H,18,20)
InChIKeyNKRVAUJIJJJRQT-UHFFFAOYSA-N
XLogP3.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.19
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromophenyl)-4-methyl-3-oxopentanamide
CID 134357858
N,4-bis(3-bromophenyl)-3-oxobutanamide
CID 159771681
N'-hydroxy-N-phenylpropanediamide
CID 20721653
N-(3-bromophenyl)-N'-(3-chloro-4-methylphenyl)propanediamide
CID 108955273
N'-(3-acetamidophenyl)-N-(4-bromophenyl)propanediamide
CID 108955491
N-(3-bromophenyl)-3,3-dimethylbutanamide
CID 842233
N-(3-bromophenyl)-2-cyanoacetamide
CID 846049
N-(3-bromophenyl)-2-(2-methylphenyl)acetamide
CID 24705879
N'-(3-bromophenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943931
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
2-(4-bromoanilino)-N-(3-bromophenyl)acetamide
CID 7492464
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857

Frequently Asked Questions

What is the IUPAC name of N'-(3-bromophenyl)-N-phenylpropanediamide?
The IUPAC name of N'-(3-bromophenyl)-N-phenylpropanediamide (CID 108952873) is N'-(3-bromophenyl)-N-phenylpropanediamide.
What is the SMILES notation for N'-(3-bromophenyl)-N-phenylpropanediamide?
The canonical SMILES for N'-(3-bromophenyl)-N-phenylpropanediamide is O=C(CC(=O)Nc1cccc(Br)c1)Nc1ccccc1.
What is the InChIKey of N'-(3-bromophenyl)-N-phenylpropanediamide?
The InChIKey is NKRVAUJIJJJRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2/c16-11-5-4-8-13(9-11)18-15(20)10-14(19)17-12-6-2-1-3-7-12/h1-9H,10H2,(H,17,19)(H,18,20).
What are the key properties of N'-(3-bromophenyl)-N-phenylpropanediamide?
N'-(3-bromophenyl)-N-phenylpropanediamide has a molecular weight of 333.19 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bromophenyl)-N-phenylpropanediamide is sourced from PubChem (CID 108952873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).