N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide

C19H20Cl2N2O2 — CID 19752746

IUPACN'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide
SMILESCN(C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)23(18(25)14-7-11-16(21)12-8-14)22(4)17(24)13-5-9-15(20)10-6-13/h5-12H,1-4H3
InChIKeyYANDJDIBHDWMJB-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.92
Rot. Bonds2

About N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide

N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide (PubChem CID 19752746) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide
PubChem CID19752746
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide
SMILESCN(C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C19H20Cl2N2O2/c1-19(2,3)23(18(25)14-7-11-16(21)12-8-14)22(4)17(24)13-5-9-15(20)10-6-13/h5-12H,1-4H3
InChIKeyYANDJDIBHDWMJB-UHFFFAOYSA-N
XLogP4.92
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzoyl-N-tert-butyl-3,5-dichloro-N'-methylbenzohydrazide
CID 19752979
N'-tert-butyl-N,4-dimethyl-N'-[4-(trifluoromethyl)benzoyl]benzohydrazide
CID 19752729
N-tert-butyl-4-chlorobenzohydrazide
CID 15617780
N'-tert-butyl-2,4-dichloro-N-methyl-N'-[4-(trifluoromethoxy)benzoyl]benzohydrazide
CID 19752817
N-tert-butyl-N',4-dichlorobenzohydrazide
CID 57207833
N-(4-chlorobenzoyl)-N-methylcarbamoyl chloride
CID 54256213
4-chloro-N-[(3S,4S)-4-hydroxypyrrolidin-3-yl]-N-methylbenzamide
CID 114088799
iodomethyl N-benzoyl-N-[tert-butyl-(4-chlorobenzoyl)amino]carbamate
CID 70215513
N,N'-diacetyl-4-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 3820065
[2-[[[benzoyl(tert-butyl)amino]-(4-chlorobenzoyl)carbamoyl]oxy-methylamino]-2-oxoethyl] propanoate
CID 91610472
4-tert-butyl-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 99955818
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide?
The IUPAC name of N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide (CID 19752746) is N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide is CN(C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide?
The InChIKey is YANDJDIBHDWMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-19(2,3)23(18(25)14-7-11-16(21)12-8-14)22(4)17(24)13-5-9-15(20)10-6-13/h5-12H,1-4H3.
What are the key properties of N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide?
N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide has a molecular weight of 379.29 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-chloro-N'-(4-chlorobenzoyl)-N-methylbenzohydrazide is sourced from PubChem (CID 19752746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).