N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

C19H27FN4O2 — CID 136523994

IUPACN-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCC1CN1CCCC1)c1ccccc1F
InChIInChI=1S/C19H27FN4O2/c20-17-8-2-1-7-16(17)18(25)21-9-10-22-19(26)24-13-5-6-15(24)14-23-11-3-4-12-23/h1-2,7-8,15H,3-6,9-14H2,(H,21,25)(H,22,26)
InChIKeyMZMUDNUKZQBIGY-UHFFFAOYSA-N
MW362.45 g/mol
LogP1.83
Rot. Bonds6

About N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide

N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (PubChem CID 136523994) has the molecular formula C19H27FN4O2 and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
PubChem CID136523994
Molecular FormulaC19H27FN4O2
Molecular Weight362.45 g/mol
Exact Mass362.21
IUPAC NameN-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
SMILESO=C(NCCNC(=O)N1CCCC1CN1CCCC1)c1ccccc1F
InChIInChI=1S/C19H27FN4O2/c20-17-8-2-1-7-16(17)18(25)21-9-10-22-19(26)24-13-5-6-15(24)14-23-11-3-4-12-23/h1-2,7-8,15H,3-6,9-14H2,(H,21,25)(H,22,26)
InChIKeyMZMUDNUKZQBIGY-UHFFFAOYSA-N
XLogP1.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-[2-[2-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 43421664
N-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 56827021
tert-butyl 2-[[(2-fluorobenzoyl)amino]methyl]piperidine-1-carboxylate
CID 86848385
N-[2-[[N'-[(1-ethylpyrrolidin-2-yl)methyl]carbamimidoyl]amino]ethyl]-2-fluorobenzamide
CID 111075697
N-[3-(2-fluoro-N-methylanilino)propyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428035
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
N-ethyl-2-(pyrrolidin-1-ylmethyl)azepane-1-carboxamide
CID 110196370
(2S)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95278566
(2R)-N-(2-methoxyphenyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95045652
(2S)-N-[3-(2-fluorophenyl)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 125140406
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95598499
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 95598498

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide (CID 136523994) is N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is O=C(NCCNC(=O)N1CCCC1CN1CCCC1)c1ccccc1F.
What is the InChIKey of N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
The InChIKey is MZMUDNUKZQBIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN4O2/c20-17-8-2-1-7-16(17)18(25)21-9-10-22-19(26)24-13-5-6-15(24)14-23-11-3-4-12-23/h1-2,7-8,15H,3-6,9-14H2,(H,21,25)(H,22,26).
What are the key properties of N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide?
N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-fluorobenzoyl)amino]ethyl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136523994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).