4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide

C18H20ClN3O4 — CID 26820776

IUPAC4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
SMILESCc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C18H20ClN3O4/c1-11-10-15(12(2)26-11)18(25)22-21-16(23)4-3-9-20-17(24)13-5-7-14(19)8-6-13/h5-8,10H,3-4,9H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyWIRUKVYJFCFDAF-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.52
Rot. Bonds6

About 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide

4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide (PubChem CID 26820776) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
PubChem CID26820776
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide
SMILESCc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(C)o1
InChIInChI=1S/C18H20ClN3O4/c1-11-10-15(12(2)26-11)18(25)22-21-16(23)4-3-9-20-17(24)13-5-7-14(19)8-6-13/h5-8,10H,3-4,9H2,1-2H3,(H,20,24)(H,21,23)(H,22,25)
InChIKeyWIRUKVYJFCFDAF-UHFFFAOYSA-N
XLogP2.52
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-[3-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-3-oxopropyl]benzamide
CID 4787903
N-[2-[2-[(4-chlorobenzoyl)amino]ethylamino]-2-oxoethyl]-2,5-dimethylfuran-3-carboxamide
CID 55917649
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]furan-2-carboxamide
CID 34282135
N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]-2-ethoxybenzamide
CID 9084951
4-chloro-N-[3-[2-(2-methylbenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 9220953
1-N',5-N'-bis(4-chlorobenzoyl)pentanedihydrazide
CID 3361883
4-chloro-N-[2-[4-(methylamino)butanoylamino]ethyl]benzamide;hydrochloride
CID 119703400
N'-[4-(4-bromophenoxy)butanoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 9468202
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
N-(4-amino-4-sulfanylidenebutyl)-2,5-dimethylfuran-3-carboxamide
CID 62667359
[2-(methylamino)-2-oxoethyl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 4795054

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide (CID 26820776) is 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide is Cc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccc(Cl)cc2)c(C)o1.
What is the InChIKey of 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide?
The InChIKey is WIRUKVYJFCFDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-11-10-15(12(2)26-11)18(25)22-21-16(23)4-3-9-20-17(24)13-5-7-14(19)8-6-13/h5-8,10H,3-4,9H2,1-2H3,(H,20,24)(H,21,23)(H,22,25).
What are the key properties of 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide?
4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide has a molecular weight of 377.83 g/mol, XLogP of 2.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-4-oxobutyl]benzamide is sourced from PubChem (CID 26820776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).