N'-(4-bromophenyl)-N-cyclopentylpropanediamide

C14H17BrN2O2 — CID 108942239

IUPACN'-(4-bromophenyl)-N-cyclopentylpropanediamide
SMILESO=C(CC(=O)NC1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2/c15-10-5-7-12(8-6-10)17-14(19)9-13(18)16-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,16,18)(H,17,19)
InChIKeyLEMGKFAWJJUHRK-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.84
Rot. Bonds4

About N'-(4-bromophenyl)-N-cyclopentylpropanediamide

N'-(4-bromophenyl)-N-cyclopentylpropanediamide (PubChem CID 108942239) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is N'-(4-bromophenyl)-N-cyclopentylpropanediamide.

Molecular Properties

Compound NameN'-(4-bromophenyl)-N-cyclopentylpropanediamide
PubChem CID108942239
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC NameN'-(4-bromophenyl)-N-cyclopentylpropanediamide
SMILESO=C(CC(=O)NC1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H17BrN2O2/c15-10-5-7-12(8-6-10)17-14(19)9-13(18)16-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,16,18)(H,17,19)
InChIKeyLEMGKFAWJJUHRK-UHFFFAOYSA-N
XLogP2.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.84
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-chlorophenyl)-N-cyclohexylpropanediamide
CID 108942605
1-(4-bromophenyl)-3-cycloheptylurea
CID 47132836
N-cycloheptyl-N'-(4-ethylphenyl)propanediamide
CID 108951571
3-(4-bromoanilino)-N-cyclopentylpropanamide
CID 109013518
N-cyclohexyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108942640
methyl 4-[[3-(cyclohexylamino)-3-oxopropanoyl]amino]benzoate
CID 108942635
N-cyclopentyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942248
N-cyclohexyl-N'-(4-propan-2-yloxyphenyl)propanediamide
CID 108942623
N'-(4-tert-butylphenyl)-N-cyclopropylpropanediamide
CID 108941074
N-cycloheptyl-N'-(3,5-dichlorophenyl)propanediamide
CID 108951648
N-(4-bromophenyl)-3-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]propanamide;hydroiodide
CID 110959394
N-(4-bromophenyl)-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108959030

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromophenyl)-N-cyclopentylpropanediamide?
The IUPAC name of N'-(4-bromophenyl)-N-cyclopentylpropanediamide (CID 108942239) is N'-(4-bromophenyl)-N-cyclopentylpropanediamide.
What is the SMILES notation for N'-(4-bromophenyl)-N-cyclopentylpropanediamide?
The canonical SMILES for N'-(4-bromophenyl)-N-cyclopentylpropanediamide is O=C(CC(=O)NC1CCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N'-(4-bromophenyl)-N-cyclopentylpropanediamide?
The InChIKey is LEMGKFAWJJUHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c15-10-5-7-12(8-6-10)17-14(19)9-13(18)16-11-3-1-2-4-11/h5-8,11H,1-4,9H2,(H,16,18)(H,17,19).
What are the key properties of N'-(4-bromophenyl)-N-cyclopentylpropanediamide?
N'-(4-bromophenyl)-N-cyclopentylpropanediamide has a molecular weight of 325.21 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromophenyl)-N-cyclopentylpropanediamide is sourced from PubChem (CID 108942239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).