[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate

C19H19Cl2NO2 — CID 171982927

IUPAC[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate
SMILESCCCCC/C(=N/OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2NO2/c1-2-3-5-10-18(14-8-6-4-7-9-14)22-24-19(23)16-12-11-15(20)13-17(16)21/h4,6-9,11-13H,2-3,5,10H2,1H3/b22-18-
InChIKeySFTGXXOQBDKFDG-PYCFMQQDSA-N
MW364.27 g/mol
LogP6.13
Rot. Bonds7

About [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate

[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate (PubChem CID 171982927) has the molecular formula C19H19Cl2NO2 and a molecular weight of 364.27 g/mol. Its IUPAC name is [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate
PubChem CID171982927
Molecular FormulaC19H19Cl2NO2
Molecular Weight364.27 g/mol
Exact Mass363.08
IUPAC Name[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate
SMILESCCCCC/C(=N/OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C19H19Cl2NO2/c1-2-3-5-10-18(14-8-6-4-7-9-14)22-24-19(23)16-12-11-15(20)13-17(16)21/h4,6-9,11-13H,2-3,5,10H2,1H3/b22-18-
InChIKeySFTGXXOQBDKFDG-PYCFMQQDSA-N
XLogP6.13
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.27
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-phenylhexylideneamino) 4-phenylbenzoate
CID 3098243
N-methoxy-1-phenylhexan-1-imine
CID 141496906
1-(2,4-dichlorophenyl)hexan-1-one
CID 57230005
N-[1-(2,4-dichlorophenyl)pentylideneamino]acetamide
CID 88673856
N-[1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 4154549
N-[(E)-1-(2,4-dichlorophenyl)propylideneamino]nonanamide
CID 6023036
1-[4-(2,4-dichlorobenzoyl)phenyl]nonan-1-one
CID 158169372
2-(2,4-dichlorophenoxy)-N-[(E)-1-phenylpentylideneamino]propanamide
CID 6258918
1-(2,4-dichlorophenyl)decane-1,3-dione
CID 43321487
[(Z)-1-phenyldodecylideneamino] N-naphthalen-1-ylcarbamate
CID 6535809
[(E)-(1-oxo-1-phenyloctan-2-ylidene)amino] benzoate
CID 164704501
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
CID 5349145

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate?
The IUPAC name of [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate (CID 171982927) is [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate.
What is the SMILES notation for [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate?
The canonical SMILES for [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate is CCCCC/C(=N/OC(=O)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate?
The InChIKey is SFTGXXOQBDKFDG-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H19Cl2NO2/c1-2-3-5-10-18(14-8-6-4-7-9-14)22-24-19(23)16-12-11-15(20)13-17(16)21/h4,6-9,11-13H,2-3,5,10H2,1H3/b22-18-.
What are the key properties of [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate?
[(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate has a molecular weight of 364.27 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-phenylhexylideneamino] 2,4-dichlorobenzoate is sourced from PubChem (CID 171982927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).