5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide

C17H19N3O — CID 62131789

IUPAC5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide
SMILESNC(=O)c1cc(N)ccc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H19N3O/c18-14-6-7-16(15(10-14)17(19)21)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11,18H2,(H2,19,21)
InChIKeyJTBKRCAODHMUCM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.36
Rot. Bonds3

About 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide

5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide (PubChem CID 62131789) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide
PubChem CID62131789
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide
SMILESNC(=O)c1cc(N)ccc1N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H19N3O/c18-14-6-7-16(15(10-14)17(19)21)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11,18H2,(H2,19,21)
InChIKeyJTBKRCAODHMUCM-UHFFFAOYSA-N
XLogP2.36
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(3-phenylazetidin-1-yl)benzoic acid
CID 79689460
4-methyl-3-(3-phenylpyrrolidin-1-yl)aniline
CID 62589445
1-[5-fluoro-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanone
CID 62132108
5-amino-2-(3-hydroxypyrrolidin-1-yl)benzoic acid
CID 62943071
3-chloro-4-(3-phenylpyrrolidin-1-yl)benzenecarbothioamide
CID 63088319
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-5-aminobenzoic acid
CID 12784656
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80516938
2-(4-phenylpiperidin-1-yl)benzoic acid
CID 125468631
2-(3-acetamidopyrrolidin-1-yl)-5-aminobenzoic acid
CID 113402594
2-methyl-4-(3-phenylpyrrolidin-1-yl)quinoline-6-carboxamide
CID 174599482
2-methyl-4-[(3S)-3-phenylpyrrolidin-1-yl]quinoline-6-carboxamide
CID 174599465
5-[(4-bromobenzoyl)amino]-2-[(3R)-3-phenylpyrrolidin-1-yl]benzoic acid
CID 93070134

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide?
The IUPAC name of 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide (CID 62131789) is 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide.
What is the SMILES notation for 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide?
The canonical SMILES for 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide is NC(=O)c1cc(N)ccc1N1CCC(c2ccccc2)C1.
What is the InChIKey of 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide?
The InChIKey is JTBKRCAODHMUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c18-14-6-7-16(15(10-14)17(19)21)20-9-8-13(11-20)12-4-2-1-3-5-12/h1-7,10,13H,8-9,11,18H2,(H2,19,21).
What are the key properties of 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide?
5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide has a molecular weight of 281.36 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(3-phenylpyrrolidin-1-yl)benzamide is sourced from PubChem (CID 62131789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).