2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide

C18H17Cl2FN2O4 — CID 46671748

IUPAC2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(F)c(Cl)cc2Cl)ccc1OC(C)C
InChIInChI=1S/C18H17Cl2FN2O4/c1-9(2)27-15-5-4-10(6-16(15)26-3)17(24)22-23-18(25)11-7-14(21)13(20)8-12(11)19/h4-9H,1-3H3,(H,22,24)(H,23,25)
InChIKeyPTUDPXRJNFHRJP-UHFFFAOYSA-N
MW415.25 g/mol
LogP4.00
Rot. Bonds5

About 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide

2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide (PubChem CID 46671748) has the molecular formula C18H17Cl2FN2O4 and a molecular weight of 415.25 g/mol. Its IUPAC name is 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide.

Molecular Properties

Compound Name2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
PubChem CID46671748
Molecular FormulaC18H17Cl2FN2O4
Molecular Weight415.25 g/mol
Exact Mass414.05
IUPAC Name2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(F)c(Cl)cc2Cl)ccc1OC(C)C
InChIInChI=1S/C18H17Cl2FN2O4/c1-9(2)27-15-5-4-10(6-16(15)26-3)17(24)22-23-18(25)11-7-14(21)13(20)8-12(11)19/h4-9H,1-3H3,(H,22,24)(H,23,25)
InChIKeyPTUDPXRJNFHRJP-UHFFFAOYSA-N
XLogP4.00
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.25
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,3-dichloro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 26655741
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
2,3,4-trimethoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide
CID 7972045
3-methoxy-N'-(4-methylsulfanylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 8621899
N'-[4-(difluoromethoxy)benzoyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 26655758
3-chloro-N'-(3,4-dimethoxybenzoyl)-5-methoxy-4-propan-2-yloxybenzohydrazide
CID 24645296
3-(2-chloro-6-fluorophenyl)-N'-(3-methoxy-4-propan-2-yloxybenzoyl)-5-methyl-1,2-oxazole-4-carbohydrazide
CID 26311764
2-methoxy-N'-(3-methoxy-4-propan-2-yloxybenzoyl)pyridine-3-carbohydrazide
CID 55559824
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
N-(3,4-difluorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51159004
N-(3,4-dichlorophenyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 2223889
N'-[2-[(2-chlorophenyl)methoxy]acetyl]-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 55789099

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
The IUPAC name of 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide (CID 46671748) is 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide.
What is the SMILES notation for 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
The canonical SMILES for 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide is COc1cc(C(=O)NNC(=O)c2cc(F)c(Cl)cc2Cl)ccc1OC(C)C.
What is the InChIKey of 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
The InChIKey is PTUDPXRJNFHRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN2O4/c1-9(2)27-15-5-4-10(6-16(15)26-3)17(24)22-23-18(25)11-7-14(21)13(20)8-12(11)19/h4-9H,1-3H3,(H,22,24)(H,23,25).
What are the key properties of 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide?
2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide has a molecular weight of 415.25 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-fluoro-N'-(3-methoxy-4-propan-2-yloxybenzoyl)benzohydrazide is sourced from PubChem (CID 46671748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).