4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide

C18H21N3O — CID 21330045

IUPAC4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
SMILESNc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21N3O/c19-16-8-6-15(7-9-16)18(22)20-17-10-11-21(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13,19H2,(H,20,22)
InChIKeyFZOHYXVJUVLNBY-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.27
Rot. Bonds4

About 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide

4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide (PubChem CID 21330045) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
PubChem CID21330045
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
SMILESNc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H21N3O/c19-16-8-6-15(7-9-16)18(22)20-17-10-11-21(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13,19H2,(H,20,22)
InChIKeyFZOHYXVJUVLNBY-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3R)-1-benzylpyrrolidin-3-yl]-4-[(R)-methylsulfinyl]benzamide
CID 94020513
N-(1-benzylpyrrolidin-3-yl)-4-(difluoromethylsulfonyl)benzamide
CID 42907504
N-(1-benzylpyrrolidin-3-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 17436953
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpyrrolidin-3-yl)-4-chloro-3-sulfamoylbenzamide
CID 3464249
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-4-pyrrol-1-ylbenzamide
CID 25333072
N-(1-benzylpyrrolidin-3-yl)-2-phenylbenzamide
CID 46546920

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide?
The IUPAC name of 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide (CID 21330045) is 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide is Nc1ccc(C(=O)NC2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide?
The InChIKey is FZOHYXVJUVLNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c19-16-8-6-15(7-9-16)18(22)20-17-10-11-21(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13,19H2,(H,20,22).
What are the key properties of 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide?
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide has a molecular weight of 295.39 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 21330045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).