4-amino-N-(cyclopentylcarbamoyl)benzamide

C13H17N3O2 — CID 108902754

IUPAC4-amino-N-(cyclopentylcarbamoyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C13H17N3O2/c14-10-7-5-9(6-8-10)12(17)16-13(18)15-11-3-1-2-4-11/h5-8,11H,1-4,14H2,(H2,15,16,17,18)
InChIKeyFTTOAJFKOQVWQR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.65
Rot. Bonds2

About 4-amino-N-(cyclopentylcarbamoyl)benzamide

4-amino-N-(cyclopentylcarbamoyl)benzamide (PubChem CID 108902754) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 4-amino-N-(cyclopentylcarbamoyl)benzamide.

Molecular Properties

Compound Name4-amino-N-(cyclopentylcarbamoyl)benzamide
PubChem CID108902754
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name4-amino-N-(cyclopentylcarbamoyl)benzamide
SMILESNc1ccc(C(=O)NC(=O)NC2CCCC2)cc1
InChIInChI=1S/C13H17N3O2/c14-10-7-5-9(6-8-10)12(17)16-13(18)15-11-3-1-2-4-11/h5-8,11H,1-4,14H2,(H2,15,16,17,18)
InChIKeyFTTOAJFKOQVWQR-UHFFFAOYSA-N
XLogP1.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N'-(4-aminobenzoyl)-N-cyclododecyloxamide
CID 108517437
4-amino-N-cyclohexylbenzamide;hydrochloride
CID 83814043
2-(4-aminophenyl)sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 43299295
2-(4-aminophenoxy)-N-(cyclohexylcarbamoyl)acetamide
CID 61026518
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
2-(4-aminophenoxy)-N-(cyclopropylcarbamoyl)acetamide
CID 54908932
4-chloro-N-(cyclopentylcarbamothioyl)benzamide
CID 4922300
N-(piperidin-4-ylcarbamoyl)benzamide
CID 12608582
1-[(4-aminophenyl)-methylidene-oxo-λ6-sulfanyl]-3-cyclopentylurea
CID 91181295
1-(4-aminophenyl)-3-cyclopropylurea
CID 25324133
N-cyclopentyl-4-sulfanylbenzamide
CID 71194494
1-(4-aminophenyl)-2-(cyclopentylamino)ethanone
CID 82258201

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclopentylcarbamoyl)benzamide?
The IUPAC name of 4-amino-N-(cyclopentylcarbamoyl)benzamide (CID 108902754) is 4-amino-N-(cyclopentylcarbamoyl)benzamide.
What is the SMILES notation for 4-amino-N-(cyclopentylcarbamoyl)benzamide?
The canonical SMILES for 4-amino-N-(cyclopentylcarbamoyl)benzamide is Nc1ccc(C(=O)NC(=O)NC2CCCC2)cc1.
What is the InChIKey of 4-amino-N-(cyclopentylcarbamoyl)benzamide?
The InChIKey is FTTOAJFKOQVWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-10-7-5-9(6-8-10)12(17)16-13(18)15-11-3-1-2-4-11/h5-8,11H,1-4,14H2,(H2,15,16,17,18).
What are the key properties of 4-amino-N-(cyclopentylcarbamoyl)benzamide?
4-amino-N-(cyclopentylcarbamoyl)benzamide has a molecular weight of 247.30 g/mol, XLogP of 1.65, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclopentylcarbamoyl)benzamide is sourced from PubChem (CID 108902754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).