4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide

C13H10Cl2FN3O2 — CID 39900703

IUPAC4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1c(C(=O)NNC(=O)c2ccccc2F)cc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2FN3O2/c1-19-10(6-8(14)11(19)15)13(21)18-17-12(20)7-4-2-3-5-9(7)16/h2-6H,1H3,(H,17,20)(H,18,21)
InChIKeyBMCKXSAMUUIXIH-UHFFFAOYSA-N
MW330.15 g/mol
LogP2.55
Rot. Bonds2

About 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide

4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide (PubChem CID 39900703) has the molecular formula C13H10Cl2FN3O2 and a molecular weight of 330.15 g/mol. Its IUPAC name is 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
PubChem CID39900703
Molecular FormulaC13H10Cl2FN3O2
Molecular Weight330.15 g/mol
Exact Mass329.01
IUPAC Name4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
SMILESCn1c(C(=O)NNC(=O)c2ccccc2F)cc(Cl)c1Cl
InChIInChI=1S/C13H10Cl2FN3O2/c1-19-10(6-8(14)11(19)15)13(21)18-17-12(20)7-4-2-3-5-9(7)16/h2-6H,1H3,(H,17,20)(H,18,21)
InChIKeyBMCKXSAMUUIXIH-UHFFFAOYSA-N
XLogP2.55
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.15
LogP ≤ 52.55
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

N-(2-acetamido-4,5-difluorophenyl)-4,5-dichloro-1-methylpyrrole-2-carboxamide
CID 99796213
5,6-dichloro-N'-(2-fluorobenzoyl)pyridine-3-carbohydrazide
CID 2087408
N'-[(2S)-2-chloropropanoyl]-2-fluorobenzohydrazide
CID 97300264
methyl 3-[(4,5-dichloro-1-methylpyrrole-2-carbonyl)amino]-4-fluorobenzoate
CID 78858549
N-[2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-2-fluorobenzamide
CID 35930552
4,5-dichloro-N-[2-(hydroxymethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 61497972
1-(3-chloro-4-methylphenyl)-3-[(2-fluorobenzoyl)amino]thiourea
CID 8625148
[2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 3,5-dichlorobenzoate
CID 7724098
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-fluorobenzamide
CID 108538189
4,5-dichloro-N'-[2-(3,4-dimethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 55676601
N'-[3-(3-chlorophenyl)propanoyl]-2-fluorobenzohydrazide
CID 51277577
N'-(2-fluorobenzoyl)pyridine-2-carbohydrazide
CID 27661912

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide (CID 39900703) is 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide is Cn1c(C(=O)NNC(=O)c2ccccc2F)cc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
The InChIKey is BMCKXSAMUUIXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O2/c1-19-10(6-8(14)11(19)15)13(21)18-17-12(20)7-4-2-3-5-9(7)16/h2-6H,1H3,(H,17,20)(H,18,21).
What are the key properties of 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide?
4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide has a molecular weight of 330.15 g/mol, XLogP of 2.55, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N'-(2-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 39900703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).