2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide

C16H14ClN3O6 — CID 4878023

IUPAC2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C16H14ClN3O6/c1-25-11-5-9(6-12(8-11)26-2)15(21)18-19-16(22)13-7-10(20(23)24)3-4-14(13)17/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyWVSPLQBWRQXGBR-UHFFFAOYSA-N
MW379.76 g/mol
LogP2.34
Rot. Bonds5

About 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide

2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide (PubChem CID 4878023) has the molecular formula C16H14ClN3O6 and a molecular weight of 379.76 g/mol. Its IUPAC name is 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide.

Molecular Properties

Compound Name2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide
PubChem CID4878023
Molecular FormulaC16H14ClN3O6
Molecular Weight379.76 g/mol
Exact Mass379.06
IUPAC Name2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide
SMILESCOc1cc(OC)cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1
InChIInChI=1S/C16H14ClN3O6/c1-25-11-5-9(6-12(8-11)26-2)15(21)18-19-16(22)13-7-10(20(23)24)3-4-14(13)17/h3-8H,1-2H3,(H,18,21)(H,19,22)
InChIKeyWVSPLQBWRQXGBR-UHFFFAOYSA-N
XLogP2.34
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.76
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-chloro-5-nitrobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 9439884
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440166
2-chloro-N-(2-hydroxy-5-methoxyphenyl)-5-nitrobenzamide
CID 165355321
3,5-dimethoxy-N-(5-nitro-2-pyridinyl)benzamide
CID 2862603
2-chloro-N-[3-(4-methoxyphenyl)prop-2-ynyl]-5-nitrobenzamide
CID 90548962
2-chloro-N-(4-methoxy-3,5-dinitrophenyl)-5-nitrobenzamide
CID 17358222
N'-(2-chlorobenzoyl)-3,5-dinitrobenzohydrazide
CID 4508937
2-chloro-5-(3,5-dimethoxyphenyl)-N-methylbenzamide
CID 56715762
1-[(2-chloro-5-nitrobenzoyl)amino]-3-[(2R)-1-methoxypropan-2-yl]thiourea
CID 9478236
5-chloro-N'-(3,5-dimethoxybenzoyl)-2-methoxybenzohydrazide
CID 2091608
N-(2-chlorophenyl)-3-methoxy-5-nitrobenzamide
CID 17440781

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide?
The IUPAC name of 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide (CID 4878023) is 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide.
What is the SMILES notation for 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide?
The canonical SMILES for 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide is COc1cc(OC)cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1.
What is the InChIKey of 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide?
The InChIKey is WVSPLQBWRQXGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O6/c1-25-11-5-9(6-12(8-11)26-2)15(21)18-19-16(22)13-7-10(20(23)24)3-4-14(13)17/h3-8H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide?
2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide has a molecular weight of 379.76 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-(3,5-dimethoxybenzoyl)-5-nitrobenzohydrazide is sourced from PubChem (CID 4878023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).