4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide

C18H19ClN2O3 — CID 5083065

IUPAC4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN=Cc1cccc(O)c1
InChIInChI=1S/C18H19ClN2O3/c1-13-10-15(19)7-8-17(13)24-9-3-6-18(23)21-20-12-14-4-2-5-16(22)11-14/h2,4-5,7-8,10-12,22H,3,6,9H2,1H3,(H,21,23)
InChIKeyKHWNQDBUYGPUES-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.66
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide

4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide (PubChem CID 5083065) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide
PubChem CID5083065
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NN=Cc1cccc(O)c1
InChIInChI=1S/C18H19ClN2O3/c1-13-10-15(19)7-8-17(13)24-9-3-6-18(23)21-20-12-14-4-2-5-16(22)11-14/h2,4-5,7-8,10-12,22H,3,6,9H2,1H3,(H,21,23)
InChIKeyKHWNQDBUYGPUES-UHFFFAOYSA-N
XLogP3.66
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-fluorophenyl)methylideneamino]butanamide
CID 4658763
4-(4-chloro-2-methylphenoxy)-N-[(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]butanamide
CID 4176982
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-(2,4-dichlorophenoxy)-N-[(E)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 6870038
2-(4-chloro-2-iodophenoxy)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5447436
4-(2-bromo-4-tert-butylphenoxy)-N-[(E)-(3-chlorophenyl)methylideneamino]butanamide
CID 19208111
4-(2,4-dichlorophenoxy)-N-[(2-methylphenyl)methylideneamino]butanamide
CID 4169401
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
2-(4-chloro-2-methylphenoxy)-N-[(4-methoxy-3-methylphenyl)methylideneamino]acetamide
CID 4980388
4-(4-chloro-2-methylphenoxy)-N-(cyclohexylmethylideneamino)butanamide
CID 3397487

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide (CID 5083065) is 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide is Cc1cc(Cl)ccc1OCCCC(=O)NN=Cc1cccc(O)c1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide?
The InChIKey is KHWNQDBUYGPUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13-10-15(19)7-8-17(13)24-9-3-6-18(23)21-20-12-14-4-2-5-16(22)11-14/h2,4-5,7-8,10-12,22H,3,6,9H2,1H3,(H,21,23).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide?
4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide has a molecular weight of 346.81 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-[(3-hydroxyphenyl)methylideneamino]butanamide is sourced from PubChem (CID 5083065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).