4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide

C10H13ClFN3O2 — CID 166193409

IUPAC4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Cl)cc1C(=O)NNC(=O)C(C)(C)F
InChIInChI=1S/C10H13ClFN3O2/c1-10(2,12)9(17)14-13-8(16)7-4-6(11)5-15(7)3/h4-5H,1-3H3,(H,13,16)(H,14,17)
InChIKeyXPWSHOWSXKZPNL-UHFFFAOYSA-N
MW261.68 g/mol
LogP1.19
Rot. Bonds2

About 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide

4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide (PubChem CID 166193409) has the molecular formula C10H13ClFN3O2 and a molecular weight of 261.68 g/mol. Its IUPAC name is 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide
PubChem CID166193409
Molecular FormulaC10H13ClFN3O2
Molecular Weight261.68 g/mol
Exact Mass261.07
IUPAC Name4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1cc(Cl)cc1C(=O)NNC(=O)C(C)(C)F
InChIInChI=1S/C10H13ClFN3O2/c1-10(2,12)9(17)14-13-8(16)7-4-6(11)5-15(7)3/h4-5H,1-3H3,(H,13,16)(H,14,17)
InChIKeyXPWSHOWSXKZPNL-UHFFFAOYSA-N
XLogP1.19
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-methyl-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
CID 154834480
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 43500997
4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide
CID 42573577
4-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 28740773
N-(2-amino-2-ethylbutyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 81484909
4-chloro-N-(4-hydroxybutyl)-1-methylpyrrole-2-carboxamide
CID 106843318
4-chloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1-methylpyrrole-2-carboxamide
CID 79246119
2-[[2-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]acetyl]amino]acetic acid
CID 43465535
4-chloro-N-[2-hydroxy-1-[2-(trifluoromethyl)phenyl]ethyl]-1-methylpyrrole-2-carboxamide
CID 138024674
4-chloro-1-methyl-N-(2-sulfamoylethyl)pyrrole-2-carboxamide
CID 61066534
N-(4-anilinophenyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 47015100
N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 79113868

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide (CID 166193409) is 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide is Cn1cc(Cl)cc1C(=O)NNC(=O)C(C)(C)F.
What is the InChIKey of 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide?
The InChIKey is XPWSHOWSXKZPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClFN3O2/c1-10(2,12)9(17)14-13-8(16)7-4-6(11)5-15(7)3/h4-5H,1-3H3,(H,13,16)(H,14,17).
What are the key properties of 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide?
4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide has a molecular weight of 261.68 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-(2-fluoro-2-methylpropanoyl)-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 166193409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).