5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide

C20H16ClN3O5 — CID 9088085

IUPAC5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1
InChIInChI=1S/C20H16ClN3O5/c1-2-12-3-5-13(6-4-12)19(25)22-23-20(26)18-10-9-17(29-18)15-8-7-14(24(27)28)11-16(15)21/h3-11H,2H2,1H3,(H,22,25)(H,23,26)
InChIKeyDKDRVSUNJJJDAO-UHFFFAOYSA-N
MW413.82 g/mol
LogP4.15
Rot. Bonds5

About 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide

5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide (PubChem CID 9088085) has the molecular formula C20H16ClN3O5 and a molecular weight of 413.82 g/mol. Its IUPAC name is 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide
PubChem CID9088085
Molecular FormulaC20H16ClN3O5
Molecular Weight413.82 g/mol
Exact Mass413.08
IUPAC Name5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide
SMILESCCc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1
InChIInChI=1S/C20H16ClN3O5/c1-2-12-3-5-13(6-4-12)19(25)22-23-20(26)18-10-9-17(29-18)15-8-7-14(24(27)28)11-16(15)21/h3-11H,2H2,1H3,(H,22,25)(H,23,26)
InChIKeyDKDRVSUNJJJDAO-UHFFFAOYSA-N
XLogP4.15
TPSA114.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.82
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloro-4-nitrophenyl)-N-(4-ethylphenyl)furan-2-carboxamide
CID 1307127
5-(2-ethyl-4-nitrophenyl)furan-2-carbohydrazide
CID 91681056
5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075068
5-(2-chloro-4-nitrophenyl)-N-[(3,4-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 9082489
5-(2-chloro-4-nitrophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]furan-2-carboxamide
CID 51936855
5-(2-chloro-4-nitrophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]furan-2-carboxamide
CID 1424128
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
5-(2-chloro-4-nitrophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]furan-2-carboxamide
CID 9089410
[2-oxo-2-(prop-2-ynylamino)ethyl] 5-(2-chloro-4-nitrophenyl)furan-2-carboxylate
CID 8568937
5-(2-chloro-4-nitrophenyl)-N-[(1R,2S)-2-(dimethylamino)cyclopentyl]furan-2-carboxamide
CID 95776761
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-4-ethoxybenzamide
CID 9215198
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 6009233

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide?
The IUPAC name of 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide (CID 9088085) is 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide is CCc1ccc(C(=O)NNC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)cc1.
What is the InChIKey of 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide?
The InChIKey is DKDRVSUNJJJDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O5/c1-2-12-3-5-13(6-4-12)19(25)22-23-20(26)18-10-9-17(29-18)15-8-7-14(24(27)28)11-16(15)21/h3-11H,2H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide?
5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide has a molecular weight of 413.82 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-nitrophenyl)-N'-(4-ethylbenzoyl)furan-2-carbohydrazide is sourced from PubChem (CID 9088085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).