N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide

C18H27ClN2O2 — CID 67921777

IUPACN'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide
SMILESCCCCCCC(=O)N(NC(=O)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C18H27ClN2O2/c1-5-6-7-8-9-16(22)21(18(2,3)4)20-17(23)14-10-12-15(19)13-11-14/h10-13H,5-9H2,1-4H3,(H,20,23)
InChIKeyKKMQGULAHARFCU-UHFFFAOYSA-N
MW338.88 g/mol
LogP4.58
Rot. Bonds6

About N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide

N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide (PubChem CID 67921777) has the molecular formula C18H27ClN2O2 and a molecular weight of 338.88 g/mol. Its IUPAC name is N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide
PubChem CID67921777
Molecular FormulaC18H27ClN2O2
Molecular Weight338.88 g/mol
Exact Mass338.18
IUPAC NameN'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide
SMILESCCCCCCC(=O)N(NC(=O)c1ccc(Cl)cc1)C(C)(C)C
InChIInChI=1S/C18H27ClN2O2/c1-5-6-7-8-9-16(22)21(18(2,3)4)20-17(23)14-10-12-15(19)13-11-14/h10-13H,5-9H2,1-4H3,(H,20,23)
InChIKeyKKMQGULAHARFCU-UHFFFAOYSA-N
XLogP4.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.88
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 67922028
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CID 67921881
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CID 67922174
N'-tert-butyl-3-methyl-N'-octanoylbenzohydrazide
CID 67921776
N'-tert-butyl-N'-decanoyl-3-fluorobenzohydrazide
CID 67922216
N'-tert-butyl-N'-(4-chlorobenzoyl)-4-ethylbenzohydrazide;trihydrochloride
CID 70294476
1-(4-chlorophenyl)octadecan-1-one
CID 3660100
1-(4-chlorophenyl)heptan-1-one
CID 12510889
N-tert-butyl-2-chloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 14626547
[tert-butyl-[(4-chlorobenzoyl)amino]amino]-cyclopenta-2,4-dien-1-ylidenemethanolate
CID 3764164
N'-tert-butyl-3,5-dichloro-N'-(4-chlorobenzoyl)benzohydrazide
CID 23164437
1-(4-chlorophenyl)-3-[methyl(pentyl)amino]propan-1-one
CID 62619023

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide?
The IUPAC name of N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide (CID 67921777) is N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide.
What is the SMILES notation for N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide?
The canonical SMILES for N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide is CCCCCCC(=O)N(NC(=O)c1ccc(Cl)cc1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide?
The InChIKey is KKMQGULAHARFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O2/c1-5-6-7-8-9-16(22)21(18(2,3)4)20-17(23)14-10-12-15(19)13-11-14/h10-13H,5-9H2,1-4H3,(H,20,23).
What are the key properties of N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide?
N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide has a molecular weight of 338.88 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-4-chloro-N'-heptanoylbenzohydrazide is sourced from PubChem (CID 67921777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).