N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide

C16H15ClN2O4 — CID 8637145

IUPACN'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide
SMILESCOc1ccc(OC)c(C(=O)NNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClN2O4/c1-22-12-6-7-14(23-2)13(9-12)16(21)19-18-15(20)10-4-3-5-11(17)8-10/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyRIORGJRZWOVGFW-UHFFFAOYSA-N
MW334.76 g/mol
LogP2.43
Rot. Bonds4

About N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide

N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide (PubChem CID 8637145) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide
PubChem CID8637145
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC NameN'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide
SMILESCOc1ccc(OC)c(C(=O)NNC(=O)c2cccc(Cl)c2)c1
InChIInChI=1S/C16H15ClN2O4/c1-22-12-6-7-14(23-2)13(9-12)16(21)19-18-15(20)10-4-3-5-11(17)8-10/h3-9H,1-2H3,(H,18,20)(H,19,21)
InChIKeyRIORGJRZWOVGFW-UHFFFAOYSA-N
XLogP2.43
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
CID 2091608
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
N'-(4-tert-butylbenzoyl)-2,5-dimethoxybenzohydrazide
CID 8639762
N-[4-[(3-chlorobenzoyl)amino]phenyl]-2,4-dimethoxybenzamide
CID 17314016
2,5-dimethoxy-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)benzohydrazide
CID 30862218
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
(4-methoxyphenyl)methyl N-[(3-chlorobenzoyl)amino]carbamate
CID 870443
2,6-dichloro-N'-(5-chloro-2-methoxybenzoyl)benzohydrazide
CID 78775260
5-chloro-N'-(3,5-dimethylbenzoyl)-2-methoxybenzohydrazide
CID 2469214
N'-(5-chloro-2-methoxybenzoyl)-3,4,5-trimethoxybenzohydrazide
CID 4805458
N'-(2,5-dimethoxybenzoyl)pyridine-2-carbohydrazide
CID 8573468
3,5-dichloro-N'-(2-methoxybenzoyl)benzohydrazide
CID 17133653

Frequently Asked Questions

What is the IUPAC name of N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide?
The IUPAC name of N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide (CID 8637145) is N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide.
What is the SMILES notation for N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide?
The canonical SMILES for N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide is COc1ccc(OC)c(C(=O)NNC(=O)c2cccc(Cl)c2)c1.
What is the InChIKey of N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide?
The InChIKey is RIORGJRZWOVGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-12-6-7-14(23-2)13(9-12)16(21)19-18-15(20)10-4-3-5-11(17)8-10/h3-9H,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide?
N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide has a molecular weight of 334.76 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-chlorobenzoyl)-2,5-dimethoxybenzohydrazide is sourced from PubChem (CID 8637145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).