3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide

C21H24BrN3O2 — CID 51923127

IUPAC3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NC[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C21H24BrN3O2/c22-18-10-6-9-17(13-18)21(27)24-15-20(26)23-14-19(25-11-4-5-12-25)16-7-2-1-3-8-16/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyLQDNFAKXHFSBKS-IBGZPJMESA-N
MW430.35 g/mol
LogP3.13
Rot. Bonds7

About 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide

3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide (PubChem CID 51923127) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide
PubChem CID51923127
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide
SMILESO=C(CNC(=O)c1cccc(Br)c1)NC[C@@H](c1ccccc1)N1CCCC1
InChIInChI=1S/C21H24BrN3O2/c22-18-10-6-9-17(13-18)21(27)24-15-20(26)23-14-19(25-11-4-5-12-25)16-7-2-1-3-8-16/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,23,26)(H,24,27)/t19-/m0/s1
InChIKeyLQDNFAKXHFSBKS-IBGZPJMESA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-bromo-N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide (CID 51923127) is 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide is O=C(CNC(=O)c1cccc(Br)c1)NC[C@@H](c1ccccc1)N1CCCC1.
What is the InChIKey of 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide?
The InChIKey is LQDNFAKXHFSBKS-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24BrN3O2/c22-18-10-6-9-17(13-18)21(27)24-15-20(26)23-14-19(25-11-4-5-12-25)16-7-2-1-3-8-16/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,23,26)(H,24,27)/t19-/m0/s1.
What are the key properties of 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide?
3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide has a molecular weight of 430.35 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-oxo-2-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]amino]ethyl]benzamide is sourced from PubChem (CID 51923127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).