4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide

C17H19Cl2N3O5 — CID 166356099

IUPAC4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NCC(O)CNC(=O)COc2ccc(O)cc2)cc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N3O5/c1-22-14(6-13(18)16(22)19)17(26)21-8-11(24)7-20-15(25)9-27-12-4-2-10(23)3-5-12/h2-6,11,23-24H,7-9H2,1H3,(H,20,25)(H,21,26)
InChIKeyXZTATQSBSAGCEC-UHFFFAOYSA-N
MW416.26 g/mol
LogP1.32
Rot. Bonds8

About 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide (PubChem CID 166356099) has the molecular formula C17H19Cl2N3O5 and a molecular weight of 416.26 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide
PubChem CID166356099
Molecular FormulaC17H19Cl2N3O5
Molecular Weight416.26 g/mol
Exact Mass415.07
IUPAC Name4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide
SMILESCn1c(C(=O)NCC(O)CNC(=O)COc2ccc(O)cc2)cc(Cl)c1Cl
InChIInChI=1S/C17H19Cl2N3O5/c1-22-14(6-13(18)16(22)19)17(26)21-8-11(24)7-20-15(25)9-27-12-4-2-10(23)3-5-12/h2-6,11,23-24H,7-9H2,1H3,(H,20,25)(H,21,26)
InChIKeyXZTATQSBSAGCEC-UHFFFAOYSA-N
XLogP1.32
TPSA112.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.26
LogP ≤ 51.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N'-[2-(4-bromophenoxy)acetyl]-4,5-dichloro-1-methylpyrrole-2-carbohydrazide
CID 78860966
4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 55676601
2-(4-chlorophenoxy)-N-(2,3-dihydroxypropyl)acetamide
CID 66177064
3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62674269
4,5-dichloro-N-[2-(furan-2-yl)-2-hydroxyethyl]-1-methylpyrrole-2-carboxamide
CID 78870041
2-(4-chloro-3-methylphenoxy)-N-(2-hydroxybutyl)acetamide
CID 66937964
2-(4-hydroxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 61485470
2-(4-chlorophenoxy)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 113258574
N-(2-aminooxypropyl)-2-(4-chlorophenoxy)acetamide
CID 112501724
N-(2-hydroxy-4-methylpentyl)-2-(4-methoxyphenoxy)acetamide
CID 103771418
2-(3-chlorophenoxy)-N-(2-hydroxy-3-methylbutyl)acetamide
CID 115701670
2-(4-chloro-3-fluorophenoxy)-N-[(3S)-4-[[2-(3-chlorophenoxy)acetyl]amino]-3-hydroxybutyl]acetamide
CID 155302933

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide (CID 166356099) is 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide is Cn1c(C(=O)NCC(O)CNC(=O)COc2ccc(O)cc2)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is XZTATQSBSAGCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N3O5/c1-22-14(6-13(18)16(22)19)17(26)21-8-11(24)7-20-15(25)9-27-12-4-2-10(23)3-5-12/h2-6,11,23-24H,7-9H2,1H3,(H,20,25)(H,21,26).
What are the key properties of 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 416.26 g/mol, XLogP of 1.32, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 166356099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).