2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide

C18H16Cl2FN3O4 — CID 55792107

IUPAC2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H16Cl2FN3O4/c1-28-15-8-10(19)2-4-13(15)18(27)24-23-16(25)6-7-22-17(26)12-5-3-11(21)9-14(12)20/h2-5,8-9H,6-7H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyPURIFUQKWLBINU-UHFFFAOYSA-N
MW428.25 g/mol
LogP2.72
Rot. Bonds6

About 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide

2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide (PubChem CID 55792107) has the molecular formula C18H16Cl2FN3O4 and a molecular weight of 428.25 g/mol. Its IUPAC name is 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
PubChem CID55792107
Molecular FormulaC18H16Cl2FN3O4
Molecular Weight428.25 g/mol
Exact Mass427.05
IUPAC Name2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
SMILESCOc1cc(Cl)ccc1C(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C18H16Cl2FN3O4/c1-28-15-8-10(19)2-4-13(15)18(27)24-23-16(25)6-7-22-17(26)12-5-3-11(21)9-14(12)20/h2-5,8-9H,6-7H2,1H3,(H,22,26)(H,23,25)(H,24,27)
InChIKeyPURIFUQKWLBINU-UHFFFAOYSA-N
XLogP2.72
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.25
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[2-[2-(2-ethylphenoxy)acetyl]hydrazinyl]-3-oxopropyl]-4-fluorobenzamide
CID 55786575
4-chloro-N'-[2-(2,4-dichlorophenyl)acetyl]-2-methoxybenzohydrazide
CID 31956715
2-chloro-N-[3-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-3-oxopropyl]-4-fluorobenzamide
CID 51955720
2-chloro-N-[3-(2,4-difluoroanilino)-3-oxopropyl]-4-fluorobenzamide
CID 55753021
4-chloro-2-methoxy-N'-(4-oxo-4-phenylbutanoyl)benzohydrazide
CID 29281321
2,4-difluoro-N-[3-[2-(2-fluorobenzoyl)hydrazinyl]-3-oxopropyl]benzamide
CID 30457128
2-chloro-N-[3-[4-(ethylsulfonylamino)-3-methoxyanilino]-3-oxopropyl]-4-fluorobenzamide
CID 55956277
N-[4-[2-(2-chlorobenzoyl)hydrazinyl]-4-oxobutyl]-2,4-difluorobenzamide
CID 35929500
4-chloro-2-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 113236443
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893
N-(3-amino-3-sulfanylidenepropyl)-2-chloro-4-fluorobenzamide
CID 62666116
2-chloro-N-[3-[(2-ethyl-2-hydroxybutyl)amino]-3-oxopropyl]-4-fluorobenzamide
CID 111483229

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide (CID 55792107) is 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide is COc1cc(Cl)ccc1C(=O)NNC(=O)CCNC(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide?
The InChIKey is PURIFUQKWLBINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN3O4/c1-28-15-8-10(19)2-4-13(15)18(27)24-23-16(25)6-7-22-17(26)12-5-3-11(21)9-14(12)20/h2-5,8-9H,6-7H2,1H3,(H,22,26)(H,23,25)(H,24,27).
What are the key properties of 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide?
2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide has a molecular weight of 428.25 g/mol, XLogP of 2.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[2-(4-chloro-2-methoxybenzoyl)hydrazinyl]-3-oxopropyl]-4-fluorobenzamide is sourced from PubChem (CID 55792107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).