N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide

C18H19BrN2O2 — CID 108946169

IUPACN'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide
SMILESCc1cc(Br)ccc1NC(=O)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-13-10-15(19)8-9-16(13)20-17(22)11-18(23)21(2)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyGVUYWTCFIUPNCV-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.74
Rot. Bonds5

About N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide

N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide (PubChem CID 108946169) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide.

Molecular Properties

Compound NameN'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide
PubChem CID108946169
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC NameN'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide
SMILESCc1cc(Br)ccc1NC(=O)CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H19BrN2O2/c1-13-10-15(19)8-9-16(13)20-17(22)11-18(23)21(2)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,22)
InChIKeyGVUYWTCFIUPNCV-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[benzyl(methyl)amino]-N-(4-bromo-2-methylphenyl)propanamide
CID 109020660
N'-benzyl-N-(2,3-dimethylphenyl)-N'-methylpropanediamide
CID 108946105
2-benzylsulfanyl-N-(4-bromo-2-methylphenyl)acetamide
CID 4105609
N,N'-dibenzyl-N,N'-dimethylpropanediamide
CID 2392235
1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
1-amino-1-benzyl-3-(4-bromo-2-methylphenyl)thiourea
CID 134112957
N-benzyl-2-[[2-(4-bromo-2-methylphenoxy)acetyl]amino]-N-methylbenzamide
CID 4937395
N-benzyl-2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]propanamide
CID 42911650
benzyl N-(4-bromo-2-methylphenyl)carbamate
CID 53217034
N-(4-bromo-2-methylphenyl)-2-[methyl-(2-methylsulfanylacetyl)amino]acetamide
CID 17407334
N-(4-bromo-2-methylphenyl)-2-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9303478
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-fluoro-N-methylbenzamide
CID 8698305

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide?
The IUPAC name of N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide (CID 108946169) is N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide.
What is the SMILES notation for N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide?
The canonical SMILES for N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide is Cc1cc(Br)ccc1NC(=O)CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide?
The InChIKey is GVUYWTCFIUPNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-13-10-15(19)8-9-16(13)20-17(22)11-18(23)21(2)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,22).
What are the key properties of N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide?
N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide has a molecular weight of 375.27 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(4-bromo-2-methylphenyl)-N'-methylpropanediamide is sourced from PubChem (CID 108946169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).