N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide

C21H23ClFN3O2 — CID 24638619

IUPACN-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C21H23ClFN3O2/c22-17-9-3-1-7-15(17)19(26-11-5-6-12-26)13-24-20(27)14-25-21(28)16-8-2-4-10-18(16)23/h1-4,7-10,19H,5-6,11-14H2,(H,24,27)(H,25,28)
InChIKeyJTJFRKRTNXILDF-UHFFFAOYSA-N
MW403.89 g/mol
LogP3.16
Rot. Bonds7

About N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide

N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide (PubChem CID 24638619) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide
PubChem CID24638619
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC NameN-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCC(c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C21H23ClFN3O2/c22-17-9-3-1-7-15(17)19(26-11-5-6-12-26)13-24-20(27)14-25-21(28)16-8-2-4-10-18(16)23/h1-4,7-10,19H,5-6,11-14H2,(H,24,27)(H,25,28)
InChIKeyJTJFRKRTNXILDF-UHFFFAOYSA-N
XLogP3.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2,4-difluorobenzamide
CID 46521785
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-3,4-dimethylbenzamide
CID 24638629
N-[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984684
2-chloro-N-[2-[[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 7972625
N-[(2R)-2-(2-chlorophenyl)-2-piperidin-1-ylethyl]-4-fluorobenzamide
CID 35043367
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 39959510
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-(3,4-difluorophenyl)propanamide
CID 46446929
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
2-fluoro-N-[2-[[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]amino]-2-oxoethyl]benzamide
CID 39951277
N-[1-[[2-(2-chlorophenyl)-2-morpholin-4-ylethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-fluorobenzamide
CID 55609869
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-propoxybenzamide
CID 17012250
2,4-difluoro-N-[2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-2-oxoethyl]benzamide
CID 51336068

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide (CID 24638619) is N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide is O=C(CNC(=O)c1ccccc1F)NCC(c1ccccc1Cl)N1CCCC1.
What is the InChIKey of N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
The InChIKey is JTJFRKRTNXILDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c22-17-9-3-1-7-15(17)19(26-11-5-6-12-26)13-24-20(27)14-25-21(28)16-8-2-4-10-18(16)23/h1-4,7-10,19H,5-6,11-14H2,(H,24,27)(H,25,28).
What are the key properties of N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide?
N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide has a molecular weight of 403.89 g/mol, XLogP of 3.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]-2-fluorobenzamide is sourced from PubChem (CID 24638619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).