1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide

C17H22ClN3O3 — CID 78798756

IUPAC1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C17H22ClN3O3/c1-12(22)21-6-2-3-16(21)17(23)19-14-11-13(18)4-5-15(14)20-7-9-24-10-8-20/h4-5,11,16H,2-3,6-10H2,1H3,(H,19,23)
InChIKeyKIGUUROHBGHTSM-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.13
Rot. Bonds3

About 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide

1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 78798756) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID78798756
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(=O)N1CCCC1C(=O)Nc1cc(Cl)ccc1N1CCOCC1
InChIInChI=1S/C17H22ClN3O3/c1-12(22)21-6-2-3-16(21)17(23)19-14-11-13(18)4-5-15(14)20-7-9-24-10-8-20/h4-5,11,16H,2-3,6-10H2,1H3,(H,19,23)
InChIKeyKIGUUROHBGHTSM-UHFFFAOYSA-N
XLogP2.13
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-acetyl-N-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)pyrrolidine-2-carboxamide
CID 99638534
(3R)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136129
(3S)-1-(4-chlorobenzoyl)-N-(5-chloro-2-morpholin-4-ylphenyl)piperidine-3-carboxamide
CID 41136127
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]oxane-4-carboxamide
CID 30971775
N-(5-chloro-2-morpholin-4-ylphenyl)-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 55702129
(3S)-3-N-(5-chloro-2-morpholin-4-ylphenyl)-1-N,1-N-diethylpiperidine-1,3-dicarboxamide
CID 51955137
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559378
1-(5-chloro-2-morpholin-4-ylphenyl)-3-[(3S)-oxan-3-yl]urea
CID 95291147
N-(5-chloro-2-morpholin-4-ylphenyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 51310799
1-(5-chloro-2-morpholin-4-ylphenyl)-3-propylurea
CID 47103076
4-[(5-chloro-2-morpholin-4-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122074142

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide (CID 78798756) is 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide is CC(=O)N1CCCC1C(=O)Nc1cc(Cl)ccc1N1CCOCC1.
What is the InChIKey of 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is KIGUUROHBGHTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-12(22)21-6-2-3-16(21)17(23)19-14-11-13(18)4-5-15(14)20-7-9-24-10-8-20/h4-5,11,16H,2-3,6-10H2,1H3,(H,19,23).
What are the key properties of 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide?
1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(5-chloro-2-morpholin-4-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 78798756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).