(4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone

C18H19ClN2O2 — CID 166254361

IUPAC(4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCCn1cc(Cl)cc1C(=O)N1CC=C(c2cccc(OC)c2)C1
InChIInChI=1S/C18H19ClN2O2/c1-3-20-12-15(19)10-17(20)18(22)21-8-7-14(11-21)13-5-4-6-16(9-13)23-2/h4-7,9-10,12H,3,8,11H2,1-2H3
InChIKeyQXCMKVUKIMEOEW-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.71
Rot. Bonds4

About (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone

(4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone (PubChem CID 166254361) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone
PubChem CID166254361
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name(4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone
SMILESCCn1cc(Cl)cc1C(=O)N1CC=C(c2cccc(OC)c2)C1
InChIInChI=1S/C18H19ClN2O2/c1-3-20-12-15(19)10-17(20)18(22)21-8-7-14(11-21)13-5-4-6-16(9-13)23-2/h4-7,9-10,12H,3,8,11H2,1-2H3
InChIKeyQXCMKVUKIMEOEW-UHFFFAOYSA-N
XLogP3.71
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-methylpyrrol-2-yl)-(3-phenyl-2,5-dihydropyrrol-1-yl)methanone
CID 167748506
methyl 1-ethyl-4-(3-methoxyphenyl)pyrrole-2-carboxylate
CID 117222897
(1,1-dioxothian-4-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone
CID 127781318
[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 136534015
4-[[[2-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]-2-oxoacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 166277084
1-(4-chloro-1-ethylpyrrole-2-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721380
[1-ethyl-4-(4-methoxyphenyl)pyrrol-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 53147777
[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-methyl-5-(trifluoromethyl)triazol-4-yl]methanone
CID 167809726
3-(3-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 101387033
2-(3-methoxyphenyl)-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38167963
2-[4-(3-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-phenylacetamide
CID 71935444
[1-(3,4-dichlorophenyl)-3-(3-methoxyphenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 5097237

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone?
The IUPAC name of (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone (CID 166254361) is (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone?
The canonical SMILES for (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone is CCn1cc(Cl)cc1C(=O)N1CC=C(c2cccc(OC)c2)C1.
What is the InChIKey of (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone?
The InChIKey is QXCMKVUKIMEOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-20-12-15(19)10-17(20)18(22)21-8-7-14(11-21)13-5-4-6-16(9-13)23-2/h4-7,9-10,12H,3,8,11H2,1-2H3.
What are the key properties of (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone?
(4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone has a molecular weight of 330.82 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrrol-2-yl)-[3-(3-methoxyphenyl)-2,5-dihydropyrrol-1-yl]methanone is sourced from PubChem (CID 166254361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).