4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide

C15H14BrF2N3O4 — CID 24532975

IUPAC4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(Br)cn2C)ccc1OC(F)F
InChIInChI=1S/C15H14BrF2N3O4/c1-21-7-9(16)6-10(21)14(23)20-19-13(22)8-3-4-11(25-15(17)18)12(5-8)24-2/h3-7,15H,1-2H3,(H,19,22)(H,20,23)
InChIKeyKCRSJDVQJZIDJR-UHFFFAOYSA-N
MW418.19 g/mol
LogP2.47
Rot. Bonds5

About 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide

4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 24532975) has the molecular formula C15H14BrF2N3O4 and a molecular weight of 418.19 g/mol. Its IUPAC name is 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID24532975
Molecular FormulaC15H14BrF2N3O4
Molecular Weight418.19 g/mol
Exact Mass417.01
IUPAC Name4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(Br)cn2C)ccc1OC(F)F
InChIInChI=1S/C15H14BrF2N3O4/c1-21-7-9(16)6-10(21)14(23)20-19-13(22)8-3-4-11(25-15(17)18)12(5-8)24-2/h3-7,15H,1-2H3,(H,19,22)(H,20,23)
InChIKeyKCRSJDVQJZIDJR-UHFFFAOYSA-N
XLogP2.47
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.19
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
N'-[(E)-3-[2,4-bis(difluoromethoxy)phenyl]prop-2-enoyl]-4-bromo-1-methylpyrrole-2-carbohydrazide
CID 27037215
1-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-3-propan-2-ylthiourea
CID 7978091
4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
CID 55738000
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 9401144
1-tert-butyl-3-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]thiourea
CID 9425633
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119
4-bromo-1-methyl-N'-[2-(2,3,4-trimethoxyphenyl)acetyl]pyrrole-2-carbohydrazide
CID 24533026
N'-[2-(4-chlorophenyl)acetyl]-4-(difluoromethoxy)-3-methoxybenzohydrazide
CID 26657660
4-(difluoromethoxy)-N-(2-hydroxyethyl)-3-methoxybenzamide
CID 78783270

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide (CID 24532975) is 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cc(Br)cn2C)ccc1OC(F)F.
What is the InChIKey of 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is KCRSJDVQJZIDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N3O4/c1-21-7-9(16)6-10(21)14(23)20-19-13(22)8-3-4-11(25-15(17)18)12(5-8)24-2/h3-7,15H,1-2H3,(H,19,22)(H,20,23).
What are the key properties of 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 418.19 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 24532975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).