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

C17H13Cl2N3O — CID 126389420

IUPAC2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(/C=N/c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H13Cl2N3O/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+
InChIKeyFQIVUAVXPQHTCJ-ODCIPOBUSA-N
MW346.22 g/mol
LogP4.18
Rot. Bonds4

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

2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide (PubChem CID 126389420) has the molecular formula C17H13Cl2N3O and a molecular weight of 346.22 g/mol. Its IUPAC name is 2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide
PubChem CID126389420
Molecular FormulaC17H13Cl2N3O
Molecular Weight346.22 g/mol
Exact Mass345.04
IUPAC Name2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide
SMILESNC(=O)Cn1cc(/C=N/c2ccc(Cl)cc2Cl)c2ccccc21
InChIInChI=1S/C17H13Cl2N3O/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+
InChIKeyFQIVUAVXPQHTCJ-ODCIPOBUSA-N
XLogP4.18
TPSA60.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.18
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-difluorophenyl)iminomethyl]indol-1-yl]acetamide
CID 126389439
2-[3-[(2-hydroxyphenyl)iminomethyl]indol-1-yl]acetamide
CID 126389678
5-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-chlorobenzoic acid
CID 126391337
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
2-[3-[[4-(3-methoxyphenoxy)phenyl]iminomethyl]indol-1-yl]acetamide
CID 126388972
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
4-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-1-ethylpyrazole-3-carboxamide
CID 19585690
2-[3-[(Z)-[3-(3-chlorophenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]indol-1-yl]acetamide
CID 126132958
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3919047

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide?
The IUPAC name of 2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide (CID 126389420) is 2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide.
What is the SMILES notation for 2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide?
The canonical SMILES for 2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide is NC(=O)Cn1cc(/C=N/c2ccc(Cl)cc2Cl)c2ccccc21.
What is the InChIKey of 2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide?
The InChIKey is FQIVUAVXPQHTCJ-ODCIPOBUSA-N. The full InChI is InChI=1S/C17H13Cl2N3O/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-dichlorophenyl)iminomethyl]indol-1-yl]acetamide?
2-[3-[(2,4-dichlorophenyl)iminomethyl]indol-1-yl]acetamide has a molecular weight of 346.22 g/mol, XLogP of 4.18, 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-dichlorophenyl)iminomethyl]indol-1-yl]acetamide is sourced from PubChem (CID 126389420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).