1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide

C20H13ClFN3O3 — CID 100817354

IUPAC1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide
SMILESNNC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12
InChIInChI=1S/C20H13ClFN3O3/c21-14-9-11(5-6-15(14)22)17-7-8-18(28-17)20(27)25-10-13(19(26)24-23)12-3-1-2-4-16(12)25/h1-10H,23H2,(H,24,26)
InChIKeyGQULTZDQXXWKSM-UHFFFAOYSA-N
MW397.79 g/mol
LogP3.99
Rot. Bonds3

About 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide

1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide (PubChem CID 100817354) has the molecular formula C20H13ClFN3O3 and a molecular weight of 397.79 g/mol. Its IUPAC name is 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide
PubChem CID100817354
Molecular FormulaC20H13ClFN3O3
Molecular Weight397.79 g/mol
Exact Mass397.06
IUPAC Name1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide
SMILESNNC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12
InChIInChI=1S/C20H13ClFN3O3/c21-14-9-11(5-6-15(14)22)17-7-8-18(28-17)20(27)25-10-13(19(26)24-23)12-3-1-2-4-16(12)25/h1-10H,23H2,(H,24,26)
InChIKeyGQULTZDQXXWKSM-UHFFFAOYSA-N
XLogP3.99
TPSA90.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.79
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-(2,4-dibromophenyl)furan-2-carbonyl]indole-3-carbohydrazide
CID 100817382
1-[5-(4-bromo-2-chlorophenyl)furan-2-carbonyl]indole-3-carboxamide
CID 100817444
1-[5-(3,5-dichlorophenyl)furan-2-carbonyl]indole-3-carbonitrile
CID 91689506
1-[5-(2-bromo-4-fluorophenyl)furan-2-carbonyl]indole-3-carboxylic acid
CID 100817609
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
1-propanoylindole-3-carbohydrazide
CID 91690174
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
1-[2-(2-fluorophenoxy)acetyl]indole-3-carbohydrazide
CID 99965957
[5-(2-chloro-5-nitrophenyl)furan-2-yl]-[3-(hydroxymethyl)indol-1-yl]methanone
CID 100817570
3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]propanoic acid
CID 155486740
(E)-3-[5-(3-chloro-4-fluorophenyl)furan-2-yl]but-2-enoic acid
CID 82543829
5-(3-chloro-4-fluorophenyl)-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]furan-2-carboxamide
CID 50882533

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
The IUPAC name of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide (CID 100817354) is 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
The canonical SMILES for 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide is NNC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)c2ccccc12.
What is the InChIKey of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
The InChIKey is GQULTZDQXXWKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN3O3/c21-14-9-11(5-6-15(14)22)17-7-8-18(28-17)20(27)25-10-13(19(26)24-23)12-3-1-2-4-16(12)25/h1-10H,23H2,(H,24,26).
What are the key properties of 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide?
1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide has a molecular weight of 397.79 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-chloro-4-fluorophenyl)furan-2-carbonyl]indole-3-carbohydrazide is sourced from PubChem (CID 100817354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).