N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide

C18H21ClFN3O3 — CID 47798006

IUPACN'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)o1
InChIInChI=1S/C18H21ClFN3O3/c1-3-23(4-2)11-12-8-9-16(26-12)18(25)22-21-17(24)10-13-14(19)6-5-7-15(13)20/h5-9H,3-4,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVNRVWSJDTVNVDQ-UHFFFAOYSA-N
MW381.84 g/mol
LogP2.92
Rot. Bonds7

About N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide

N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide (PubChem CID 47798006) has the molecular formula C18H21ClFN3O3 and a molecular weight of 381.84 g/mol. Its IUPAC name is N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide
PubChem CID47798006
Molecular FormulaC18H21ClFN3O3
Molecular Weight381.84 g/mol
Exact Mass381.13
IUPAC NameN'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide
SMILESCCN(CC)Cc1ccc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)o1
InChIInChI=1S/C18H21ClFN3O3/c1-3-23(4-2)11-12-8-9-16(26-12)18(25)22-21-17(24)10-13-14(19)6-5-7-15(13)20/h5-9H,3-4,10-11H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyVNRVWSJDTVNVDQ-UHFFFAOYSA-N
XLogP2.92
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-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

5-(diethylaminomethyl)-N'-propanoylfuran-2-carbohydrazide
CID 56807423
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-ethylbenzohydrazide
CID 8879631
N'-acetyl-2-(2-chloro-6-fluorophenyl)acetohydrazide
CID 30905798
N'-[2-(2-chloro-6-fluorophenyl)acetyl]benzohydrazide
CID 4811592
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-4-fluorobenzohydrazide
CID 8713670
1-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-3-ethylthiourea
CID 7964165
5-(diethylaminomethyl)-N'-[3-(4-methoxyphenyl)propanoyl]furan-2-carbohydrazide
CID 47837306
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-3-ethyl-4-oxophthalazine-1-carbohydrazide
CID 7979948
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
N'-(adamantane-1-carbonyl)-5-(diethylaminomethyl)furan-2-carbohydrazide
CID 55523239
2-[[5-(diethylaminomethyl)furan-2-carbonyl]amino]acetic acid
CID 43354372

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide?
The IUPAC name of N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide (CID 47798006) is N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide?
The canonical SMILES for N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide is CCN(CC)Cc1ccc(C(=O)NNC(=O)Cc2c(F)cccc2Cl)o1.
What is the InChIKey of N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide?
The InChIKey is VNRVWSJDTVNVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClFN3O3/c1-3-23(4-2)11-12-8-9-16(26-12)18(25)22-21-17(24)10-13-14(19)6-5-7-15(13)20/h5-9H,3-4,10-11H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide?
N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide has a molecular weight of 381.84 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-chloro-6-fluorophenyl)acetyl]-5-(diethylaminomethyl)furan-2-carbohydrazide is sourced from PubChem (CID 47798006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).