4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide

C18H20ClN3O2 — CID 6028022

IUPAC4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
SMILESC/C(=N/NC(=O)CCCOc1ccc(Cl)cc1C)c1cccnc1
InChIInChI=1S/C18H20ClN3O2/c1-13-11-16(19)7-8-17(13)24-10-4-6-18(23)22-21-14(2)15-5-3-9-20-12-15/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,22,23)/b21-14-
InChIKeyMPWOIIAWBXHKIP-STZFKDTASA-N
MW345.83 g/mol
LogP3.74
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide

4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide (PubChem CID 6028022) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
PubChem CID6028022
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide
SMILESC/C(=N/NC(=O)CCCOc1ccc(Cl)cc1C)c1cccnc1
InChIInChI=1S/C18H20ClN3O2/c1-13-11-16(19)7-8-17(13)24-10-4-6-18(23)22-21-14(2)15-5-3-9-20-12-15/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,22,23)/b21-14-
InChIKeyMPWOIIAWBXHKIP-STZFKDTASA-N
XLogP3.74
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.74
H-Bond Donors ≤ 51
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-[(Z)-1-(4-chlorophenyl)ethylideneamino]butanamide
CID 6023846
4-(2,4-dichlorophenoxy)-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 4136628
N-[1-(4-aminophenyl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 5076363
4-chloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4110646
N-(butan-2-ylideneamino)-4-(4-chloro-2-methylphenoxy)butanamide
CID 4060154
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-4-(4-chloro-2-methylphenoxy)butanamide
CID 3355735
4-(4-chloro-2-methylphenoxy)-N-[1-(5-methylthiophen-2-yl)ethylideneamino]butanamide
CID 4279767
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
2,4-dichloro-N-[4-[N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 4521361
N-[4-[(Z)-N-[4-(4-chloro-2-methylphenoxy)butanoylamino]-C-methylcarbonimidoyl]phenyl]cyclopropanecarboxamide
CID 6015814
N-(1-pyridin-3-ylethylideneamino)nonanamide
CID 5136280
N-(1-pyridin-3-ylethylideneamino)heptanamide
CID 4162270

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide (CID 6028022) is 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide is C/C(=N/NC(=O)CCCOc1ccc(Cl)cc1C)c1cccnc1.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide?
The InChIKey is MPWOIIAWBXHKIP-STZFKDTASA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-13-11-16(19)7-8-17(13)24-10-4-6-18(23)22-21-14(2)15-5-3-9-20-12-15/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,22,23)/b21-14-.
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide?
4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide has a molecular weight of 345.83 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-[(Z)-1-pyridin-3-ylethylideneamino]butanamide is sourced from PubChem (CID 6028022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).