2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide

C23H18ClN3O2 — CID 135674723

IUPAC2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H18ClN3O2/c24-19-11-5-7-13-21(19)29-15-22(28)27-25-14-18-17-10-4-6-12-20(17)26-23(18)16-8-2-1-3-9-16/h1-14,26H,15H2,(H,27,28)/b25-14+
InChIKeyLNKAEMAULXMYEX-AFUMVMLFSA-N
MW403.87 g/mol
LogP5.02
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide

2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 135674723) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID135674723
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESO=C(COc1ccccc1Cl)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C23H18ClN3O2/c24-19-11-5-7-13-21(19)29-15-22(28)27-25-14-18-17-10-4-6-12-20(17)26-23(18)16-8-2-1-3-9-16/h1-14,26H,15H2,(H,27,28)/b25-14+
InChIKeyLNKAEMAULXMYEX-AFUMVMLFSA-N
XLogP5.02
TPSA66.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135620342
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135922503
N-[(Z)-(2-chloro-1H-indol-3-yl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135648428
2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863
N-[(E)-anthracen-9-ylmethylideneamino]-2-(2,3-dichlorophenoxy)acetamide
CID 45055199
2-(2-chlorophenoxy)-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 5413877
4-(4-methoxyphenyl)-4-oxo-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]butanamide
CID 172948018
2-(2-chlorophenoxy)-N-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]acetamide
CID 2835480
2-(2-bromo-4-methylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 594133
2-(4-bromonaphthalen-1-yl)oxy-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135419996
2-(2-oxoazepan-1-yl)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135725807

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide (CID 135674723) is 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide is O=C(COc1ccccc1Cl)N/N=C/c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is LNKAEMAULXMYEX-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c24-19-11-5-7-13-21(19)29-15-22(28)27-25-14-18-17-10-4-6-12-20(17)26-23(18)16-8-2-1-3-9-16/h1-14,26H,15H2,(H,27,28)/b25-14+.
What are the key properties of 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 403.87 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 135674723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).