[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone

C16H17ClN2O2 — CID 46389343

IUPAC[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
SMILESCc1[nH]c(-c2ccc(Cl)cc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C16H17ClN2O2/c1-11-14(16(20)19-6-8-21-9-7-19)10-15(18-11)12-2-4-13(17)5-3-12/h2-5,10,18H,6-9H2,1H3
InChIKeyQKWRXBUSTDVRLF-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.12
Rot. Bonds2

About [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone

[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone (PubChem CID 46389343) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
PubChem CID46389343
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone
SMILESCc1[nH]c(-c2ccc(Cl)cc2)cc1C(=O)N1CCOCC1
InChIInChI=1S/C16H17ClN2O2/c1-11-14(16(20)19-6-8-21-9-7-19)10-15(18-11)12-2-4-13(17)5-3-12/h2-5,10,18H,6-9H2,1H3
InChIKeyQKWRXBUSTDVRLF-UHFFFAOYSA-N
XLogP3.12
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-chlorophenyl)-1H-pyrazol-4-yl]-morpholin-4-ylmethanone
CID 25341652
[2-methyl-5-(4-methylphenyl)-1H-pyrrol-3-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 46389328
(2-amino-5-chlorophenyl)-morpholin-4-ylmethanone
CID 16776415
(5-chloro-2-iodophenyl)-morpholin-4-ylmethanone
CID 39710545
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-morpholin-4-ylmethanone;ethane
CID 144928448
ethane;(2-fluoro-5-methylphenyl)-morpholin-4-ylmethanone
CID 145081702
[1-(4-chlorophenyl)-5-(3,4-dimethoxyphenyl)pyrazol-4-yl]-morpholin-4-ylmethanone
CID 19002371
[5-chloro-2-(morpholine-4-carbonyl)phenyl]methyl piperazine-1-carboxylate
CID 154274165
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
ethyl 5-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)-1H-pyrrole-3-carboxylate
CID 3851499
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
[7-(4-chlorophenyl)-6-methylidene-1H-pyrrolo[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 89134303

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone (CID 46389343) is [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone is Cc1[nH]c(-c2ccc(Cl)cc2)cc1C(=O)N1CCOCC1.
What is the InChIKey of [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is QKWRXBUSTDVRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-14(16(20)19-6-8-21-9-7-19)10-15(18-11)12-2-4-13(17)5-3-12/h2-5,10,18H,6-9H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone?
[5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 304.78 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 46389343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).