N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide

C27H23F2N5O5 — CID 44621337

IUPACN-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc3[nH]c(C(=O)N/N=C/c4ccc(F)c(OC)c4)cc3c2)ccc1F
InChIInChI=1S/C27H23F2N5O5/c1-37-24-9-16(3-6-20(24)28)13-30-33-26(35)15-39-19-5-8-22-18(11-19)12-23(32-22)27(36)34-31-14-17-4-7-21(29)25(10-17)38-2/h3-14,32H,15H2,1-2H3,(H,33,35)(H,34,36)/b30-13+,31-14+
InChIKeyRFHSRHBRSFNILT-HNZHSOEWSA-N
MW535.51 g/mol
LogP3.76
Rot. Bonds10

About N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide

N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide (PubChem CID 44621337) has the molecular formula C27H23F2N5O5 and a molecular weight of 535.51 g/mol. Its IUPAC name is N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide
PubChem CID44621337
Molecular FormulaC27H23F2N5O5
Molecular Weight535.51 g/mol
Exact Mass535.17
IUPAC NameN-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)COc2ccc3[nH]c(C(=O)N/N=C/c4ccc(F)c(OC)c4)cc3c2)ccc1F
InChIInChI=1S/C27H23F2N5O5/c1-37-24-9-16(3-6-20(24)28)13-30-33-26(35)15-39-19-5-8-22-18(11-19)12-23(32-22)27(36)34-31-14-17-4-7-21(29)25(10-17)38-2/h3-14,32H,15H2,1-2H3,(H,33,35)(H,34,36)/b30-13+,31-14+
InChIKeyRFHSRHBRSFNILT-HNZHSOEWSA-N
XLogP3.76
TPSA126.40 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.51
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4041679
5-ethoxy-N-[(E)-(3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 6885743
N-[(2-fluorophenyl)methylideneamino]-5-methoxy-1H-indole-2-carboxamide
CID 156600169
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
5-ethoxy-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1H-indole-2-carboxamide
CID 136792738
N-[(Z)-(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 5404952
2-(4-chlorophenoxy)-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]acetamide
CID 6898643
[2-methoxy-4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 6267909
2-(3-chlorophenoxy)-N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]acetamide
CID 7039258
N-[(Z)-(3-bromo-4-fluorophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316103

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide?
The IUPAC name of N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide (CID 44621337) is N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide is COc1cc(/C=N/NC(=O)COc2ccc3[nH]c(C(=O)N/N=C/c4ccc(F)c(OC)c4)cc3c2)ccc1F.
What is the InChIKey of N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide?
The InChIKey is RFHSRHBRSFNILT-HNZHSOEWSA-N. The full InChI is InChI=1S/C27H23F2N5O5/c1-37-24-9-16(3-6-20(24)28)13-30-33-26(35)15-39-19-5-8-22-18(11-19)12-23(32-22)27(36)34-31-14-17-4-7-21(29)25(10-17)38-2/h3-14,32H,15H2,1-2H3,(H,33,35)(H,34,36)/b30-13+,31-14+.
What are the key properties of N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide?
N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide has a molecular weight of 535.51 g/mol, XLogP of 3.76, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-fluoro-3-methoxyphenyl)methylideneamino]-5-[2-[(2E)-2-[(4-fluoro-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]-1H-indole-2-carboxamide is sourced from PubChem (CID 44621337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).