(5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C16H17ClN2O3 — CID 111561895

IUPAC(5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C16H17ClN2O3/c1-22-15-9-14(18-5-2-3-6-18)13(17)8-12(15)16(21)19-7-4-11(20)10-19/h2-3,5-6,8-9,11,20H,4,7,10H2,1H3/t11-/m1/s1
InChIKeyONVMSTPISBCDGI-LLVKDONJSA-N
MW320.78 g/mol
LogP2.35
Rot. Bonds3

About (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 111561895) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID111561895
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name(5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCOc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C16H17ClN2O3/c1-22-15-9-14(18-5-2-3-6-18)13(17)8-12(15)16(21)19-7-4-11(20)10-19/h2-3,5-6,8-9,11,20H,4,7,10H2,1H3/t11-/m1/s1
InChIKeyONVMSTPISBCDGI-LLVKDONJSA-N
XLogP2.35
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-hydroxypyrrolidin-1-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 66291347
2-[4-(5-chloro-2-methoxy-4-pyrrol-1-ylbenzoyl)morpholin-2-yl]acetic acid
CID 119247655
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(2,5-dimethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262175
(4-amino-5-chloro-2-methoxyphenyl)-(3-aminopiperidin-1-yl)methanone
CID 122080175
[5-amino-4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]-2-methoxyphenyl] acetate
CID 153370009
1-(2,4-dichloro-5-methoxyphenyl)pyrrole
CID 3520882
(4,5-dichloro-2-methoxyphenyl)-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 97221393
(4,5-dichloro-2-methoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996486
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996324
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916589
[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]-(2-methylmorpholin-4-yl)methanone
CID 131960710

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 111561895) is (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is COc1cc(-n2cccc2)c(Cl)cc1C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is ONVMSTPISBCDGI-LLVKDONJSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-22-15-9-14(18-5-2-3-6-18)13(17)8-12(15)16(21)19-7-4-11(20)10-19/h2-3,5-6,8-9,11,20H,4,7,10H2,1H3/t11-/m1/s1.
What are the key properties of (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 320.78 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxy-4-pyrrol-1-ylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 111561895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).