2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide

C17H13F2N3O — CID 126389439

IUPAC2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(/C=N/c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C17H13F2N3O/c18-12-5-6-15(14(19)7-12)21-8-11-9-22(10-17(20)23)16-4-2-1-3-13(11)16/h1-9H,10H2,(H2,20,23)/b21-8+
InChIKeyGKZSRLODLKHOAU-ODCIPOBUSA-N
MW313.31 g/mol
LogP3.16
Rot. Bonds4

About 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide

2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide (PubChem CID 126389439) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide
PubChem CID126389439
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(/C=N/c2ccc(F)cc2F)c2ccccc21
InChIInChI=1S/C17H13F2N3O/c18-12-5-6-15(14(19)7-12)21-8-11-9-22(10-17(20)23)16-4-2-1-3-13(11)16/h1-9H,10H2,(H2,20,23)/b21-8+
InChIKeyGKZSRLODLKHOAU-ODCIPOBUSA-N
XLogP3.16
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide
CID 126389420
2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
CID 126389678
3-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzoic acid
CID 126391706
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
5-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-chlorobenzoic acid
CID 126391337
2-[3-[[4-(2-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
CID 126389976
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
CID 126388972
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 3251121
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3919047
2-(3-methylsulfanylindol-1-yl)acetamide
CID 165122763

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide (CID 126389439) is 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide is NC(=O)Cn1cc(/C=N/c2ccc(F)cc2F)c2ccccc21.
What is the InChIKey of 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide?
The InChIKey is GKZSRLODLKHOAU-ODCIPOBUSA-N. The full InChI is InChI=1S/C17H13F2N3O/c18-12-5-6-15(14(19)7-12)21-8-11-9-22(10-17(20)23)16-4-2-1-3-13(11)16/h1-9H,10H2,(H2,20,23)/b21-8+.
What are the key properties of 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide?
2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide has a molecular weight of 313.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2,4-difluorophenyl)iminomethyl]indol-1-yl]acetamide is sourced from PubChem (CID 126389439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).