N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide

C17H20ClN3O2 — CID 99631648

IUPACN-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
SMILESCn1cccc1[C@@H]1COCCN1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-20-8-4-7-15(20)16-12-23-10-9-21(16)11-17(22)19-14-6-3-2-5-13(14)18/h2-8,16H,9-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyUSJPSNWMZRKFDH-INIZCTEOSA-N
MW333.82 g/mol
LogP2.69
Rot. Bonds4

About N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide

N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide (PubChem CID 99631648) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
PubChem CID99631648
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
SMILESCn1cccc1[C@@H]1COCCN1CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C17H20ClN3O2/c1-20-8-4-7-15(20)16-12-23-10-9-21(16)11-17(22)19-14-6-3-2-5-13(14)18/h2-8,16H,9-12H2,1H3,(H,19,22)/t16-/m0/s1
InChIKeyUSJPSNWMZRKFDH-INIZCTEOSA-N
XLogP2.69
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 86803809
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 99631581
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 7775025
[4-[[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methyl]phenyl]methanol
CID 86803812
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
(3R)-4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 99631897
4-(cyclobutylmethyl)-3-(1-methylpyrrol-2-yl)morpholine
CID 86803831
N-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 22197633
(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 86794066
N-(4-fluorophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976713
N-(4-fluorophenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976718
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide (CID 99631648) is N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide is Cn1cccc1[C@@H]1COCCN1CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide?
The InChIKey is USJPSNWMZRKFDH-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-20-8-4-7-15(20)16-12-23-10-9-21(16)11-17(22)19-14-6-3-2-5-13(14)18/h2-8,16H,9-12H2,1H3,(H,19,22)/t16-/m0/s1.
What are the key properties of N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide?
N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide has a molecular weight of 333.82 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide is sourced from PubChem (CID 99631648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).