N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide

C14H19BrN2O2 — CID 108951809

IUPACN'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)7-8-16-13(18)9-14(19)17-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZAJPIXYDYKJWLS-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.94
Rot. Bonds6

About N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide

N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide (PubChem CID 108951809) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide
PubChem CID108951809
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide
SMILESCC(C)CCNC(=O)CC(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C14H19BrN2O2/c1-10(2)7-8-16-13(18)9-14(19)17-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyZAJPIXYDYKJWLS-UHFFFAOYSA-N
XLogP2.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.94
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-bromophenyl)-4-methylpentanamide
CID 28780538
N-(4-bromophenyl)-3-(3-methylbutylamino)propanamide
CID 109032040
N-(3-methylbutyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108951836
3-N-(4-bromophenyl)-1-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109056207
2-(4-bromophenyl)-N-[2-(3-methylbutylamino)-2-oxoethyl]acetamide
CID 112995172
2-(4-bromophenoxy)-N-(3-methylbutyl)acetamide
CID 60625494
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide
CID 119739151
N'-(3-cyanophenyl)-N-(3-methylbutyl)propanediamide
CID 108951873
3-amino-N-[3-(4-bromoanilino)-3-oxopropyl]butanamide;hydrochloride
CID 119739150
N-(4-bromophenyl)-3-methylbut-3-enamide
CID 68925920
N-(4-bromophenyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372196
5-amino-N-(4-bromophenyl)hexanamide
CID 82848125

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide?
The IUPAC name of N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide (CID 108951809) is N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide?
The canonical SMILES for N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide is CC(C)CCNC(=O)CC(=O)Nc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide?
The InChIKey is ZAJPIXYDYKJWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10(2)7-8-16-13(18)9-14(19)17-12-5-3-11(15)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide?
N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide has a molecular weight of 327.22 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-(3-methylbutyl)propanediamide is sourced from PubChem (CID 108951809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).