N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide

C18H18ClFN2O4 — CID 26621941

IUPACN'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C18H18ClFN2O4/c1-3-8-26-15-7-4-11(9-16(15)25-2)17(23)21-22-18(24)13-6-5-12(20)10-14(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXJBKUCUWAURLIB-UHFFFAOYSA-N
MW380.80 g/mol
LogP3.35
Rot. Bonds6

About N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide

N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide (PubChem CID 26621941) has the molecular formula C18H18ClFN2O4 and a molecular weight of 380.80 g/mol. Its IUPAC name is N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide.

Molecular Properties

Compound NameN'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
PubChem CID26621941
Molecular FormulaC18H18ClFN2O4
Molecular Weight380.80 g/mol
Exact Mass380.09
IUPAC NameN'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)c2ccc(F)cc2Cl)cc1OC
InChIInChI=1S/C18H18ClFN2O4/c1-3-8-26-15-7-4-11(9-16(15)25-2)17(23)21-22-18(24)13-6-5-12(20)10-14(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyXJBKUCUWAURLIB-UHFFFAOYSA-N
XLogP3.35
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.80
LogP ≤ 53.35
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

N'-(2,4-difluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440206
N'-(2,5-dichlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621876
2,3,4-trimethoxy-N'-(3-methoxy-4-propoxybenzoyl)benzohydrazide
CID 9440197
2,5-dichloro-N'-(3-methoxy-4-propoxybenzoyl)thiophene-3-carbohydrazide
CID 25443168
2-chloro-N-(3,4-dipropoxyphenyl)-4-fluorobenzamide
CID 26878655
N'-(3-chlorobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 26621830
N'-(2-chloro-5-nitrobenzoyl)-3-methoxy-4-propoxybenzohydrazide
CID 9440166
N'-(2-bromo-4-fluorobenzoyl)-4-ethoxy-3-methoxybenzohydrazide
CID 9151469
N'-(2,4-difluorobenzoyl)-3,4-dimethoxybenzohydrazide
CID 26893672
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propoxybenzohydrazide
CID 8621227
N'-[4-(dimethylamino)benzoyl]-3-methoxy-4-propoxybenzohydrazide
CID 25443040
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857

Frequently Asked Questions

What is the IUPAC name of N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The IUPAC name of N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide (CID 26621941) is N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide.
What is the SMILES notation for N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The canonical SMILES for N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)c2ccc(F)cc2Cl)cc1OC.
What is the InChIKey of N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
The InChIKey is XJBKUCUWAURLIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O4/c1-3-8-26-15-7-4-11(9-16(15)25-2)17(23)21-22-18(24)13-6-5-12(20)10-14(13)19/h4-7,9-10H,3,8H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide?
N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide has a molecular weight of 380.80 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-chloro-4-fluorobenzoyl)-3-methoxy-4-propoxybenzohydrazide is sourced from PubChem (CID 26621941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).