N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide

C17H17ClN2O3 — CID 4931565

IUPACN'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-2-11-23-15-6-4-3-5-14(15)17(22)20-19-16(21)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOQTYTIPMPGGZRW-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.20
Rot. Bonds5

About N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide

N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide (PubChem CID 4931565) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
PubChem CID4931565
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC NameN'-(4-chlorobenzoyl)-2-propoxybenzohydrazide
SMILESCCCOc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c1-2-11-23-15-6-4-3-5-14(15)17(22)20-19-16(21)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyOQTYTIPMPGGZRW-UHFFFAOYSA-N
XLogP3.20
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.20
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

2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
(4-chlorophenyl)-(2-propoxyphenyl)methanone
CID 104659114
N-[1-(4-chlorophenyl)ethylideneamino]-2-propoxybenzamide
CID 4931511
N-[4-[[(2-propoxybenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4948430
3-bromo-4-methyl-N'-(2-propoxybenzoyl)benzohydrazide
CID 4931652
N'-(4-fluorobenzoyl)-2-(2-methoxyethoxy)benzohydrazide
CID 86827465
2-chloro-N-[[(2-propoxybenzoyl)amino]carbamothioyl]benzamide
CID 4931749
N'-benzoyl-3,4-dipropoxybenzohydrazide
CID 8574890
N'-(4-butoxybenzoyl)-2-phenylmethoxybenzohydrazide
CID 4938160
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
N'-benzoyl-2-(3-methylbutoxy)benzohydrazide
CID 4944041
2-propoxy-N-propylbenzamide
CID 58831728

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide?
The IUPAC name of N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide (CID 4931565) is N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide.
What is the SMILES notation for N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide?
The canonical SMILES for N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide is CCCOc1ccccc1C(=O)NNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide?
The InChIKey is OQTYTIPMPGGZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-2-11-23-15-6-4-3-5-14(15)17(22)20-19-16(21)12-7-9-13(18)10-8-12/h3-10H,2,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide?
N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide has a molecular weight of 332.79 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorobenzoyl)-2-propoxybenzohydrazide is sourced from PubChem (CID 4931565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).