4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide

C18H18ClFN2O2 — CID 4658763

IUPAC4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O2/c1-13-11-15(19)6-9-17(13)24-10-2-3-18(23)22-21-12-14-4-7-16(20)8-5-14/h4-9,11-12H,2-3,10H2,1H3,(H,22,23)
InChIKeyUNDZPFCFLABUCV-UHFFFAOYSA-N
MW348.81 g/mol
LogP4.10
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide

4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide (PubChem CID 4658763) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide
PubChem CID4658763
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN=Cc1ccc(F)cc1
InChIInChI=1S/C18H18ClFN2O2/c1-13-11-15(19)6-9-17(13)24-10-2-3-18(23)22-21-12-14-4-7-16(20)8-5-14/h4-9,11-12H,2-3,10H2,1H3,(H,22,23)
InChIKeyUNDZPFCFLABUCV-UHFFFAOYSA-N
XLogP4.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 54.10
H-Bond Donors ≤ 51
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide
CID 5083065
4-(4-chloro-2-methylphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]butanamide
CID 4176982
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
4-(2,4-dichlorophenoxy)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]butanamide
CID 6067365
2-(2,4-dichlorophenoxy)-N-[(4-fluorophenyl)methylideneamino]acetamide
CID 667961
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
4-(4-chloro-2-methylphenoxy)-N-[(2-methyl-3-phenylprop-2-enylidene)amino]butanamide
CID 4613145
4-(4-chloro-2-methylphenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]butanamide
CID 135738466
4-(4-chloro-2-methylphenoxy)-N-[(2-hydroxynaphthalen-1-yl)methylideneamino]butanamide
CID 4623912
2-(4-chloro-2-methylphenoxy)-N-[(4-methoxy-3-methylphenyl)methylideneamino]acetamide
CID 4980388
4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
CID 3397487
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide (CID 4658763) is 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide is Cc1cc(Cl)ccc1OCCCC(=O)NN=Cc1ccc(F)cc1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide?
The InChIKey is UNDZPFCFLABUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-13-11-15(19)6-9-17(13)24-10-2-3-18(23)22-21-12-14-4-7-16(20)8-5-14/h4-9,11-12H,2-3,10H2,1H3,(H,22,23).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide?
4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide has a molecular weight of 348.81 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-[(4-fluorophenyl)methylideneamino]butanamide is sourced from PubChem (CID 4658763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).