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

C14H12BrF2N3O4 — CID 55738000

IUPAC4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1OC(F)F
InChIInChI=1S/C14H12BrF2N3O4/c1-23-10-3-2-7(4-11(10)24-14(16)17)12(21)19-20-13(22)9-5-8(15)6-18-9/h2-6,14,18H,1H3,(H,19,21)(H,20,22)
InChIKeyQJVVXNOITHAKKZ-UHFFFAOYSA-N
MW404.17 g/mol
LogP2.46
Rot. Bonds5

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

4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 55738000) has the molecular formula C14H12BrF2N3O4 and a molecular weight of 404.17 g/mol. Its IUPAC name is 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID55738000
Molecular FormulaC14H12BrF2N3O4
Molecular Weight404.17 g/mol
Exact Mass403.00
IUPAC Name4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1OC(F)F
InChIInChI=1S/C14H12BrF2N3O4/c1-23-10-3-2-7(4-11(10)24-14(16)17)12(21)19-20-13(22)9-5-8(15)6-18-9/h2-6,14,18H,1H3,(H,19,21)(H,20,22)
InChIKeyQJVVXNOITHAKKZ-UHFFFAOYSA-N
XLogP2.46
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.17
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 51217733
N'-[2-(3-bromophenoxy)propanoyl]-3-(difluoromethoxy)-4-methoxybenzohydrazide
CID 55738119
4-bromo-N'-(3,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9255934
N'-(4-bromo-1H-pyrrole-2-carbonyl)-6-methoxypyridine-3-carbohydrazide
CID 39447654
4-bromo-N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31116513
3-(difluoromethoxy)-4-methoxy-N-[(1R)-1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 97245131
N-(3-bromophenyl)-3-(difluoromethoxy)-4-methoxybenzamide
CID 46482952
4-bromo-N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-1-methylpyrrole-2-carbohydrazide
CID 24532975
4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 31597699
methyl 3-(4-bromophenyl)-3-[[3-(difluoromethoxy)-4-methoxybenzoyl]amino]propanoate
CID 55761802
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]pyridine-2-carbohydrazide
CID 9332711

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide (CID 55738000) is 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide is COc1ccc(C(=O)NNC(=O)c2cc(Br)c[nH]2)cc1OC(F)F.
What is the InChIKey of 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is QJVVXNOITHAKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF2N3O4/c1-23-10-3-2-7(4-11(10)24-14(16)17)12(21)19-20-13(22)9-5-8(15)6-18-9/h2-6,14,18H,1H3,(H,19,21)(H,20,22).
What are the key properties of 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 404.17 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[3-(difluoromethoxy)-4-methoxybenzoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 55738000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).