2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide

C25H19ClN4O — CID 126376770

IUPAC2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESN#Cc1ccccc1Cn1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H19ClN4O/c26-22-11-9-18(10-12-22)13-25(31)29-28-15-21-17-30(24-8-4-3-7-23(21)24)16-20-6-2-1-5-19(20)14-27/h1-12,15,17H,13,16H2,(H,29,31)/b28-15-
InChIKeyPBWPNLBKAKGAOB-MBTHVWNTSA-N
MW426.91 g/mol
LogP4.91
Rot. Bonds6

About 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide

2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide (PubChem CID 126376770) has the molecular formula C25H19ClN4O and a molecular weight of 426.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
PubChem CID126376770
Molecular FormulaC25H19ClN4O
Molecular Weight426.91 g/mol
Exact Mass426.12
IUPAC Name2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
SMILESN#Cc1ccccc1Cn1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C25H19ClN4O/c26-22-11-9-18(10-12-22)13-25(31)29-28-15-21-17-30(24-8-4-3-7-23(21)24)16-20-6-2-1-5-19(20)14-27/h1-12,15,17H,13,16H2,(H,29,31)/b28-15-
InChIKeyPBWPNLBKAKGAOB-MBTHVWNTSA-N
XLogP4.91
TPSA70.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.91
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyano-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 5424462
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126373063
[[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]urea
CID 3906318
2-(4-chlorophenyl)-N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126149478
N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 126365283
N-[(E)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]-5-methylfuran-2-carboxamide
CID 21370346
2-(4-bromophenyl)-N-[(Z)-[1-[(4-bromophenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 98050723
N-[(Z)-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(4-methylphenyl)acetamide
CID 126365049
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-cyanoacetamide
CID 5414915
N-[(1-benzylindol-3-yl)methylideneamino]-2-(4-nitrophenyl)acetamide
CID 1049161
2-(4-chlorophenyl)sulfanyl-N-[(Z)-[1-(naphthalen-1-ylmethyl)indol-3-yl]methylideneamino]acetamide
CID 126220780
N-[(Z)-[1-[(4-chlorophenyl)methyl]indol-3-yl]methylideneamino]-2-(9-oxoacridin-10-yl)acetamide
CID 92847108

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide (CID 126376770) is 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide is N#Cc1ccccc1Cn1cc(/C=N\NC(=O)Cc2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
The InChIKey is PBWPNLBKAKGAOB-MBTHVWNTSA-N. The full InChI is InChI=1S/C25H19ClN4O/c26-22-11-9-18(10-12-22)13-25(31)29-28-15-21-17-30(24-8-4-3-7-23(21)24)16-20-6-2-1-5-19(20)14-27/h1-12,15,17H,13,16H2,(H,29,31)/b28-15-.
What are the key properties of 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide?
2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide has a molecular weight of 426.91 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(Z)-[1-[(2-cyanophenyl)methyl]indol-3-yl]methylideneamino]acetamide is sourced from PubChem (CID 126376770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).