5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide

C14H15ClN4O4 — CID 2145324

IUPAC5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H15ClN4O4/c1-18-11(7-12(20)19(2)14(18)22)16-17-13(21)9-6-8(15)4-5-10(9)23-3/h4-7,16H,1-3H3,(H,17,21)
InChIKeyWEWWIKLWWDSGEM-UHFFFAOYSA-N
MW338.75 g/mol
LogP0.50
Rot. Bonds4

About 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide

5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide (PubChem CID 2145324) has the molecular formula C14H15ClN4O4 and a molecular weight of 338.75 g/mol. Its IUPAC name is 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide.

Molecular Properties

Compound Name5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide
PubChem CID2145324
Molecular FormulaC14H15ClN4O4
Molecular Weight338.75 g/mol
Exact Mass338.08
IUPAC Name5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide
SMILESCOc1ccc(Cl)cc1C(=O)NNc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C14H15ClN4O4/c1-18-11(7-12(20)19(2)14(18)22)16-17-13(21)9-6-8(15)4-5-10(9)23-3/h4-7,16H,1-3H3,(H,17,21)
InChIKeyWEWWIKLWWDSGEM-UHFFFAOYSA-N
XLogP0.50
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
5-chloro-N'-(5-chloro-2-iodobenzoyl)-2-methoxybenzohydrazide
CID 39708070
5-chloro-N'-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]-2-methoxybenzohydrazide
CID 4010068
5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
CID 2091608
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
5-chloro-2-methoxy-N'-(4-nitrophenyl)benzohydrazide
CID 5154255
N'-(4-bromo-2-fluorobenzoyl)-5-chloro-2-methoxybenzohydrazide
CID 9085244
N-[(2S)-butan-2-yl]-5-chloro-2-methoxybenzamide
CID 848311
5-chloro-2-methoxybenzoate
CID 6933314

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide?
The IUPAC name of 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide (CID 2145324) is 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide.
What is the SMILES notation for 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide?
The canonical SMILES for 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide is COc1ccc(Cl)cc1C(=O)NNc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide?
The InChIKey is WEWWIKLWWDSGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O4/c1-18-11(7-12(20)19(2)14(18)22)16-17-13(21)9-6-8(15)4-5-10(9)23-3/h4-7,16H,1-3H3,(H,17,21).
What are the key properties of 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide?
5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide has a molecular weight of 338.75 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-methoxybenzohydrazide is sourced from PubChem (CID 2145324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).