N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide

C20H22Cl2N2O3 — CID 134101828

IUPACN-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide
SMILESCC(O)c1ccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cc1
InChIInChI=1S/C20H22Cl2N2O3/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(20(2,3)4)19(27)15-9-16(21)11-17(22)10-15/h5-12,25H,1-4H3,(H,23,26)
InChIKeyKPERXOGRKHZKST-UHFFFAOYSA-N
MW409.31 g/mol
LogP4.63
Rot. Bonds3

About N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide

N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide (PubChem CID 134101828) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide.

Molecular Properties

Compound NameN-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide
PubChem CID134101828
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC NameN-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide
SMILESCC(O)c1ccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cc1
InChIInChI=1S/C20H22Cl2N2O3/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(20(2,3)4)19(27)15-9-16(21)11-17(22)10-15/h5-12,25H,1-4H3,(H,23,26)
InChIKeyKPERXOGRKHZKST-UHFFFAOYSA-N
XLogP4.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
N-tert-butyl-3,4-dichloro-N'-(4-chlorobenzoyl)benzohydrazide;trihydrochloride
CID 173294617
N'-tert-butyl-2-chloro-N'-(3,5-dichlorobenzoyl)-1,3-benzothiazole-6-carbohydrazide
CID 24728645
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dimethylbenzohydrazide
CID 70427775
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-(2,5-dichlorophenyl)urea
CID 134100672
1-[tert-butyl-(3,5-dichlorobenzoyl)amino]-3-(5-chloro-2-fluorophenyl)urea
CID 134112760
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
1-butyl-3-[tert-butyl-(3,5-dichlorobenzoyl)amino]urea
CID 134125384
N-tert-butyl-N'-(4-chlorobenzoyl)-3-methoxybenzohydrazide
CID 19368031
N'-tert-butyl-N'-(3,5-dichlorobenzoyl)-2,3-dihydro-1-benzofuran-4-carbohydrazide
CID 134102618

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide?
The IUPAC name of N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide (CID 134101828) is N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide.
What is the SMILES notation for N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide?
The canonical SMILES for N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide is CC(O)c1ccc(C(=O)NN(C(=O)c2cc(Cl)cc(Cl)c2)C(C)(C)C)cc1.
What is the InChIKey of N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide?
The InChIKey is KPERXOGRKHZKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O3/c1-12(25)13-5-7-14(8-6-13)18(26)23-24(20(2,3)4)19(27)15-9-16(21)11-17(22)10-15/h5-12,25H,1-4H3,(H,23,26).
What are the key properties of N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide?
N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide has a molecular weight of 409.31 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3,5-dichloro-N'-[4-(1-hydroxyethyl)benzoyl]benzohydrazide is sourced from PubChem (CID 134101828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).