4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide

C16H17Cl2N3O3 — CID 55676601

IUPAC4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc(Cl)c(Cl)n2C)cc1C
InChIInChI=1S/C16H17Cl2N3O3/c1-9-4-5-11(6-10(9)2)24-8-14(22)19-20-16(23)13-7-12(17)15(18)21(13)3/h4-7H,8H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySKGBYIFMBOGWNW-UHFFFAOYSA-N
MW370.24 g/mol
LogP2.79
Rot. Bonds4

About 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide

4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 55676601) has the molecular formula C16H17Cl2N3O3 and a molecular weight of 370.24 g/mol. Its IUPAC name is 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID55676601
Molecular FormulaC16H17Cl2N3O3
Molecular Weight370.24 g/mol
Exact Mass369.06
IUPAC Name4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCc1ccc(OCC(=O)NNC(=O)c2cc(Cl)c(Cl)n2C)cc1C
InChIInChI=1S/C16H17Cl2N3O3/c1-9-4-5-11(6-10(9)2)24-8-14(22)19-20-16(23)13-7-12(17)15(18)21(13)3/h4-7H,8H2,1-3H3,(H,19,22)(H,20,23)
InChIKeySKGBYIFMBOGWNW-UHFFFAOYSA-N
XLogP2.79
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(4-bromophenoxy)acetyl]-4,5-dichloro-1-methylpyrrole-2-carbohydrazide
CID 78860966
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-chloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-4-fluorobenzohydrazide
CID 27569390
4,5-dichloro-N-[2-hydroxy-3-[[2-(4-hydroxyphenoxy)acetyl]amino]propyl]-1-methylpyrrole-2-carboxamide
CID 166356099
N'-[2-(3,4-dimethylphenoxy)acetyl]-2,4-dimethylbenzohydrazide
CID 27569378
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
N'-(2-tert-butylsulfanylacetyl)-2-(3,4-dimethylphenoxy)acetohydrazide
CID 78771822
N'-[2-(3,4-dimethylphenoxy)acetyl]-2-hydroxy-5-methylbenzohydrazide
CID 60589708
5-bromo-N'-[2-(3,4-dimethylphenoxy)acetyl]-2-fluorobenzohydrazide
CID 26846108
1-(3-chloro-4-methylphenyl)-3-[[2-(3,4-dimethylphenoxy)acetyl]amino]thiourea
CID 8655021
N-(4-chloro-2-methylphenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 1122557

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (CID 55676601) is 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is Cc1ccc(OCC(=O)NNC(=O)c2cc(Cl)c(Cl)n2C)cc1C.
What is the InChIKey of 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is SKGBYIFMBOGWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O3/c1-9-4-5-11(6-10(9)2)24-8-14(22)19-20-16(23)13-7-12(17)15(18)21(13)3/h4-7H,8H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 370.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 55676601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).