N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide

C17H17BrN2O3 — CID 108947082

IUPACN'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-23-15-8-2-12(3-9-15)11-19-16(21)10-17(22)20-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyRLQQZNPHAXZYIQ-UHFFFAOYSA-N
MW377.24 g/mol
LogP3.10
Rot. Bonds6

About N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide

N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide (PubChem CID 108947082) has the molecular formula C17H17BrN2O3 and a molecular weight of 377.24 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
PubChem CID108947082
Molecular FormulaC17H17BrN2O3
Molecular Weight377.24 g/mol
Exact Mass376.04
IUPAC NameN'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
SMILESCOc1ccc(CNC(=O)CC(=O)Nc2ccc(Br)cc2)cc1
InChIInChI=1S/C17H17BrN2O3/c1-23-15-8-2-12(3-9-15)11-19-16(21)10-17(22)20-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22)
InChIKeyRLQQZNPHAXZYIQ-UHFFFAOYSA-N
XLogP3.10
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.24
LogP ≤ 53.10
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'-(4-ethoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947088
N-[(4-methoxyphenyl)methyl]-N'-(4-propan-2-ylphenyl)propanediamide
CID 108947063
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
(4-bromophenyl)methyl 4-(4-methoxyanilino)-4-oxobutanoate
CID 1297481
N'-(4-bromo-2-methylphenyl)-N-(4-methoxyphenyl)propanediamide
CID 108955636
N'-(4-methoxyphenyl)-N-phenylpropanediamide
CID 15154641
N-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
2-[(R)-(4-bromophenyl)sulfinyl]-N-(4-methoxyphenyl)acetamide
CID 40525367
N-[2-(4-fluorophenyl)ethyl]-N'-(4-methoxyphenyl)propanediamide
CID 108948446
N'-(2-chlorophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide
CID 108947071
N-(4-bromophenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005246
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9167203

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The IUPAC name of N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide (CID 108947082) is N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The canonical SMILES for N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide is COc1ccc(CNC(=O)CC(=O)Nc2ccc(Br)cc2)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
The InChIKey is RLQQZNPHAXZYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O3/c1-23-15-8-2-12(3-9-15)11-19-16(21)10-17(22)20-14-6-4-13(18)5-7-14/h2-9H,10-11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide?
N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide has a molecular weight of 377.24 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]propanediamide is sourced from PubChem (CID 108947082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).