3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide

C19H21N3O2 — CID 94819637

IUPAC3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
SMILESNC(=O)c1cccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c20-18(23)15-9-6-10-16(13-15)21-17(14-7-2-1-3-8-14)19(24)22-11-4-5-12-22/h1-3,6-10,13,17,21H,4-5,11-12H2,(H2,20,23)/t17-/m0/s1
InChIKeyAMZPDXNQLPGBQE-KRWDZBQOSA-N
MW323.40 g/mol
LogP2.56
Rot. Bonds5

About 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide

3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide (PubChem CID 94819637) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
PubChem CID94819637
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide
SMILESNC(=O)c1cccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)c1
InChIInChI=1S/C19H21N3O2/c20-18(23)15-9-6-10-16(13-15)21-17(14-7-2-1-3-8-14)19(24)22-11-4-5-12-22/h1-3,6-10,13,17,21H,4-5,11-12H2,(H2,20,23)/t17-/m0/s1
InChIKeyAMZPDXNQLPGBQE-KRWDZBQOSA-N
XLogP2.56
TPSA75.43 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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]amino]benzamide
CID 34296118
3-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]benzamide
CID 18086394
4-N-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)benzene-1,4-dicarboxamide
CID 90833775
(2S)-2-(1,3-benzodioxol-5-ylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 41119455
(2S)-2-phenyl-1-piperidin-1-yl-2-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]ethanone
CID 25384050
N-[4-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]phenyl]methanesulfonamide
CID 31268510
3-[(2,2,2-trifluoro-1-phenylethyl)amino]benzamide
CID 107811192
N-[2-oxo-1-phenyl-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]benzamide
CID 55599784
3-fluoro-N-[2-methoxy-5-[(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl)amino]phenyl]benzamide
CID 60542268
3-[[cyclopropyl(phenyl)methyl]amino]benzamide
CID 61313756
2,2-dimethyl-N-[4-[(2-oxo-1-phenyl-2-piperidin-1-ylethyl)amino]phenyl]propanamide
CID 18269468
2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-2-phenyl-1-piperidin-1-ylethanone
CID 47013128

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide?
The IUPAC name of 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide (CID 94819637) is 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide.
What is the SMILES notation for 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide?
The canonical SMILES for 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide is NC(=O)c1cccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)c1.
What is the InChIKey of 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide?
The InChIKey is AMZPDXNQLPGBQE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O2/c20-18(23)15-9-6-10-16(13-15)21-17(14-7-2-1-3-8-14)19(24)22-11-4-5-12-22/h1-3,6-10,13,17,21H,4-5,11-12H2,(H2,20,23)/t17-/m0/s1.
What are the key properties of 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide?
3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide has a molecular weight of 323.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]amino]benzamide is sourced from PubChem (CID 94819637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).