1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide

C20H20ClN3O — CID 156653428

IUPAC1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide
SMILESCC(C)/C=N/NC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C20H20ClN3O/c1-14(2)11-22-23-20(25)18-13-24(19-6-4-3-5-17(18)19)12-15-7-9-16(21)10-8-15/h3-11,13-14H,12H2,1-2H3,(H,23,25)/b22-11+
InChIKeyCEDPXRFXRSRHBQ-SSDVNMTOSA-N
MW353.85 g/mol
LogP4.71
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide (PubChem CID 156653428) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide
PubChem CID156653428
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide
SMILESCC(C)/C=N/NC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C20H20ClN3O/c1-14(2)11-22-23-20(25)18-13-24(19-6-4-3-5-17(18)19)12-15-7-9-16(21)10-8-15/h3-11,13-14H,12H2,1-2H3,(H,23,25)/b22-11+
InChIKeyCEDPXRFXRSRHBQ-SSDVNMTOSA-N
XLogP4.71
TPSA46.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.71
H-Bond Donors ≤ 51
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

1-[(4-chlorophenyl)methyl]-N-[(E)-(4-chlorophenyl)methylideneamino]indole-3-carboxamide
CID 156653432
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl chloride
CID 10980477
4-chloro-N-[(E)-[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]benzamide
CID 21379735
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N,N-diethyl-2-oxoacetamide
CID 5302284
4-[[2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetyl]amino]benzamide
CID 10181188
N-[(E)-[1-[(4-fluorophenyl)methyl]indol-3-yl]methylideneamino]-2-methylbenzamide
CID 19060958
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5147141
[1-[(4-chlorophenyl)methyl]indol-3-yl]-(furan-2-yl)methanone
CID 955150
N-(2-chlorophenyl)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-2-oxoacetamide
CID 5303659
1-[(4-chlorophenyl)methyl]-N-[2-(3-methoxyphenyl)ethyl]indole-3-carboxamide
CID 166984969
1-benzyl-N-propylindole-3-carboxamide
CID 24654500

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide (CID 156653428) is 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide is CC(C)/C=N/NC(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide?
The InChIKey is CEDPXRFXRSRHBQ-SSDVNMTOSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14(2)11-22-23-20(25)18-13-24(19-6-4-3-5-17(18)19)12-15-7-9-16(21)10-8-15/h3-11,13-14H,12H2,1-2H3,(H,23,25)/b22-11+.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(E)-2-methylpropylideneamino]indole-3-carboxamide is sourced from PubChem (CID 156653428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).