N'-(4-bromophenyl)propanediamide

C9H9BrN2O2 — CID 15154636

IUPACN'-(4-bromophenyl)propanediamide
SMILESNC(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C9H9BrN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyOUPPCFNDKLLYKA-UHFFFAOYSA-N
MW257.09 g/mol
LogP1.26
Rot. Bonds3

About N'-(4-bromophenyl)propanediamide

N'-(4-bromophenyl)propanediamide (PubChem CID 15154636) has the molecular formula C9H9BrN2O2 and a molecular weight of 257.09 g/mol. Its IUPAC name is N'-(4-bromophenyl)propanediamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)propanediamide
PubChem CID15154636
Molecular FormulaC9H9BrN2O2
Molecular Weight257.09 g/mol
Exact Mass255.98
IUPAC NameN'-(4-bromophenyl)propanediamide
SMILESNC(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C9H9BrN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14)
InChIKeyOUPPCFNDKLLYKA-UHFFFAOYSA-N
XLogP1.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 51.26
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'-(4-fluorophenyl)propanediamide
CID 18174009
(4-bromophenyl)urea
CID 16074
S-[2-(4-bromoanilino)-2-oxoethyl] carbamothioate
CID 873458
[2-(4-bromoanilino)-2-oxoethyl]azanium
CID 4745313
N-(4-bromophenyl)-3-methylbut-3-enamide
CID 68925920
2-[2-(4-bromoanilino)-2-oxoethyl]sulfanyl-N-(4-bromophenyl)acetamide
CID 3567894
N-(4-bromophenyl)-3-oxopropanamide
CID 175023149
2-(4-bromoanilino)-2-oxoethanesulfinic acid
CID 175057456
4-(4-bromoanilino)-4-oxobutanoic acid
CID 2828913
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
CID 43545551
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
[2-(4-bromoanilino)-2-oxoethyl] carbamimidothioate
CID 60642033

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)propanediamide?
The IUPAC name of N'-(4-bromophenyl)propanediamide (CID 15154636) is N'-(4-bromophenyl)propanediamide.
What is the SMILES notation for N'-(4-bromophenyl)propanediamide?
The canonical SMILES for N'-(4-bromophenyl)propanediamide is NC(=O)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)propanediamide?
The InChIKey is OUPPCFNDKLLYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O2/c10-6-1-3-7(4-2-6)12-9(14)5-8(11)13/h1-4H,5H2,(H2,11,13)(H,12,14).
What are the key properties of N'-(4-bromophenyl)propanediamide?
N'-(4-bromophenyl)propanediamide has a molecular weight of 257.09 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)propanediamide is sourced from PubChem (CID 15154636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).