3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide

C17H20ClN3O3 — CID 174173722

IUPAC3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(OCCc2ccccc2Cl)c(C(=O)NC)[nH]1
InChIInChI=1S/C17H20ClN3O3/c1-3-20-16(22)13-10-14(15(21-13)17(23)19-2)24-9-8-11-6-4-5-7-12(11)18/h4-7,10,21H,3,8-9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyNBWIKYVYGUYGBK-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.40
Rot. Bonds7

About 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide

3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide (PubChem CID 174173722) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
PubChem CID174173722
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC Name3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
SMILESCCNC(=O)c1cc(OCCc2ccccc2Cl)c(C(=O)NC)[nH]1
InChIInChI=1S/C17H20ClN3O3/c1-3-20-16(22)13-10-14(15(21-13)17(23)19-2)24-9-8-11-6-4-5-7-12(11)18/h4-7,10,21H,3,8-9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyNBWIKYVYGUYGBK-UHFFFAOYSA-N
XLogP2.40
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-acetamido-3-[2-(2-fluorophenyl)ethoxy]-N-methyl-1H-pyrrole-2-carboxamide
CID 174173738
5-N-ethyl-3-[(1R)-1-(3-methoxyphenyl)ethoxy]-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735483
3-[1-(4-cyanophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735497
5-N-ethyl-2-N-methyl-3-[1-(4-methyl-2-phosphanylphenyl)ethoxy]-1H-pyrrole-2,5-dicarboxamide
CID 174179272
2-[3-(2-chlorophenyl)propanoylamino]-N-ethylbenzamide
CID 17179030
3-[(1S)-1-(1,3-dihydro-2-benzofuran-5-yl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735492
5-N-ethyl-3-[(3E,4Z)-3-ethylidene-6-fluorohepta-4,6-dien-2-yl]oxy-2-N-methyl-1H-pyrrole-2,5-dicarboxamide
CID 170735546
3-[2-[[N'-[(2-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634659
2-(2-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9224527
3-(2-chlorophenyl)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]propanamide
CID 134023443
2-[4-(2-chlorophenyl)butanoylamino]-N-methylbenzamide
CID 110606723
N-[(2-chlorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The IUPAC name of 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide (CID 174173722) is 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide.
What is the SMILES notation for 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The canonical SMILES for 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide is CCNC(=O)c1cc(OCCc2ccccc2Cl)c(C(=O)NC)[nH]1.
What is the InChIKey of 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
The InChIKey is NBWIKYVYGUYGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-3-20-16(22)13-10-14(15(21-13)17(23)19-2)24-9-8-11-6-4-5-7-12(11)18/h4-7,10,21H,3,8-9H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide?
3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)ethoxy]-5-N-ethyl-2-N-methyl-1H-pyrrole-2,5-dicarboxamide is sourced from PubChem (CID 174173722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).