N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide

C19H21N3O2 — CID 110667684

IUPACN-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C19H21N3O2/c23-18(14-20-19(24)15-7-2-1-3-8-15)21-16-9-6-10-17(13-16)22-11-4-5-12-22/h1-3,6-10,13H,4-5,11-12,14H2,(H,20,24)(H,21,23)
InChIKeyDWQKUYUVTABIAE-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.66
Rot. Bonds5

About N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide

N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide (PubChem CID 110667684) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
PubChem CID110667684
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C19H21N3O2/c23-18(14-20-19(24)15-7-2-1-3-8-15)21-16-9-6-10-17(13-16)22-11-4-5-12-22/h1-3,6-10,13H,4-5,11-12,14H2,(H,20,24)(H,21,23)
InChIKeyDWQKUYUVTABIAE-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 54862520
N-[3-(azepan-1-yl)phenyl]-2-(methylamino)acetamide;hydrochloride
CID 120704662
N-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]-2-phenylacetamide
CID 87042458
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
2-(cyclopropylmethylamino)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 60928462
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 38325655
N-[(3-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 91394219
2-chloro-N-(3-piperidin-1-ylphenyl)acetamide
CID 43822445
2-amino-N-[3-(azepan-1-yl)phenyl]acetamide
CID 119892163
N-[3-(azepan-1-yl)phenyl]-2-(2-methoxyethylamino)acetamide
CID 119892181
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
2-(azetidin-3-yl)-N-(3-pyrrolidin-1-ylphenyl)acetamide
CID 64616785

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide?
The IUPAC name of N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide (CID 110667684) is N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide?
The canonical SMILES for N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide?
The InChIKey is DWQKUYUVTABIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18(14-20-19(24)15-7-2-1-3-8-15)21-16-9-6-10-17(13-16)22-11-4-5-12-22/h1-3,6-10,13H,4-5,11-12,14H2,(H,20,24)(H,21,23).
What are the key properties of N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide?
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide is sourced from PubChem (CID 110667684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).