N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide

C22H26ClN3O2 — CID 7966124

IUPACN-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Cl)cc1)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-17(24-25-22(27)16-28-21-12-8-19(23)9-13-21)18-6-10-20(11-7-18)26-14-4-2-3-5-15-26/h6-13H,2-5,14-16H2,1H3,(H,25,27)/b24-17-
InChIKeyLVAFGDCJRJCZFL-ULJHMMPZSA-N
MW399.92 g/mol
LogP4.64
Rot. Bonds6

About N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide

N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide (PubChem CID 7966124) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide
PubChem CID7966124
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC NameN-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide
SMILESC/C(=N/NC(=O)COc1ccc(Cl)cc1)c1ccc(N2CCCCCC2)cc1
InChIInChI=1S/C22H26ClN3O2/c1-17(24-25-22(27)16-28-21-12-8-19(23)9-13-21)18-6-10-20(11-7-18)26-14-4-2-3-5-15-26/h6-13H,2-5,14-16H2,1H3,(H,25,27)/b24-17-
InChIKeyLVAFGDCJRJCZFL-ULJHMMPZSA-N
XLogP4.64
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 7965570
N-[(E)-1-(4-chlorophenyl)ethylideneamino]-2-(4-methylphenoxy)acetamide
CID 5398012
2-(4-chlorophenoxy)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 822273
2-(2-chlorophenoxy)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9255870
2-(4-chlorophenoxy)-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]acetamide
CID 6062096
2-(3-chlorophenoxy)-N-[(E)-1-(4-chlorophenyl)ethylideneamino]acetamide
CID 6920998
2-(3-chlorophenoxy)-N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 683722
2-chloro-N-[4-[(E)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 23094897
N-[4-[(Z)-N-[[2-(4-chlorophenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenyl]-2,2,2-trifluoroacetamide
CID 6271601
2-(4-chlorophenoxy)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 4047158
2-[4-[(Z)-N-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-C-methylcarbonimidoyl]phenoxy]acetic acid
CID 9317091
N-[1-[4-(azepan-1-yl)phenyl]ethylideneamino]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 4843166

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide?
The IUPAC name of N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide (CID 7966124) is N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide is C/C(=N/NC(=O)COc1ccc(Cl)cc1)c1ccc(N2CCCCCC2)cc1.
What is the InChIKey of N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide?
The InChIKey is LVAFGDCJRJCZFL-ULJHMMPZSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-17(24-25-22(27)16-28-21-12-8-19(23)9-13-21)18-6-10-20(11-7-18)26-14-4-2-3-5-15-26/h6-13H,2-5,14-16H2,1H3,(H,25,27)/b24-17-.
What are the key properties of N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide?
N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide has a molecular weight of 399.92 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(azepan-1-yl)phenyl]ethylideneamino]-2-(4-chlorophenoxy)acetamide is sourced from PubChem (CID 7966124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).