N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan

C44H51ClN4O5 — CID 89310943

IUPACN'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1.CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1.c1ccoc1
InChIInChI=1S/C22H28N2O2.C18H19ClN2O2.C4H4O/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19;1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13;1-2-4-5-3-1/h8-14H,7H2,1-6H3,(H,23,25);4-12H,1-3H3,(H,20,22);1-4H
InChIKeyXXYBMPLTLOFHEL-UHFFFAOYSA-N
MW751.37 g/mol
LogP9.66
Rot. Bonds5

About N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan

N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan (PubChem CID 89310943) has the molecular formula C44H51ClN4O5 and a molecular weight of 751.37 g/mol. Its IUPAC name is N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan.

Molecular Properties

Compound NameN'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan
PubChem CID89310943
Molecular FormulaC44H51ClN4O5
Molecular Weight751.37 g/mol
Exact Mass750.35
IUPAC NameN'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan
SMILESCC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1.CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1.c1ccoc1
InChIInChI=1S/C22H28N2O2.C18H19ClN2O2.C4H4O/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19;1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13;1-2-4-5-3-1/h8-14H,7H2,1-6H3,(H,23,25);4-12H,1-3H3,(H,20,22);1-4H
InChIKeyXXYBMPLTLOFHEL-UHFFFAOYSA-N
XLogP9.66
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500751.37
LogP ≤ 59.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-tert-butyl-2,4-dichloro-N'-(4-ethylbenzoyl)benzohydrazide
CID 70428217
N-tert-butyl-N'-(2-chlorobenzoyl)-3,5-dimethylbenzohydrazide
CID 118974776
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N'-tert-butyl-3,5-dimethyl-N'-(3-methylbenzoyl)benzohydrazide
CID 70428537
N'-benzoyl-N-tert-butyl-5-chloro-2-methylbenzohydrazide
CID 70427780
N-tert-butyl-3-ethenyl-N'-(4-ethylbenzoyl)benzohydrazide;trihydrochloride
CID 70294631
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-tert-butyl-N'-(4-ethylbenzoyl)pyrimidine-2-carbohydrazide
CID 67934022
N'-benzoyl-N'-tert-butyl-2,4-dichlorobenzohydrazide
CID 67913116
N-tert-butyl-N'-propanoylbenzohydrazide
CID 57065241

Frequently Asked Questions

What is the IUPAC name of N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan?
The IUPAC name of N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan (CID 89310943) is N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan.
What is the SMILES notation for N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan?
The canonical SMILES for N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan is CC(C)(C)N(NC(=O)c1ccc(Cl)cc1)C(=O)c1ccccc1.CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1.c1ccoc1.
What is the InChIKey of N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan?
The InChIKey is XXYBMPLTLOFHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.C18H19ClN2O2.C4H4O/c1-7-17-8-10-18(11-9-17)20(25)23-24(22(4,5)6)21(26)19-13-15(2)12-16(3)14-19;1-18(2,3)21(17(23)14-7-5-4-6-8-14)20-16(22)13-9-11-15(19)12-10-13;1-2-4-5-3-1/h8-14H,7H2,1-6H3,(H,23,25);4-12H,1-3H3,(H,20,22);1-4H.
What are the key properties of N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan?
N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan has a molecular weight of 751.37 g/mol, XLogP of 9.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzoyl-N'-tert-butyl-4-chlorobenzohydrazide;N-tert-butyl-N'-(4-ethylbenzoyl)-3,5-dimethylbenzohydrazide;furan is sourced from PubChem (CID 89310943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).