2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide

C21H19ClN4O2 — CID 170242354

IUPAC2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide
SMILESC/C=C\C(=N/N(C=O)CC(=O)Nc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O2/c1-2-3-20(15-4-6-17(22)7-5-15)25-26(14-27)13-21(28)24-18-8-9-19-16(12-18)10-11-23-19/h2-12,14,23H,13H2,1H3,(H,24,28)/b3-2-,25-20+
InChIKeyRIDUHVZZTAYIKD-ZNCNMFBMSA-N
MW394.86 g/mol
LogP4.20
Rot. Bonds7

About 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide

2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide (PubChem CID 170242354) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide.

Molecular Properties

Compound Name2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide
PubChem CID170242354
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide
SMILESC/C=C\C(=N/N(C=O)CC(=O)Nc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1
InChIInChI=1S/C21H19ClN4O2/c1-2-3-20(15-4-6-17(22)7-5-15)25-26(14-27)13-21(28)24-18-8-9-19-16(12-18)10-11-23-19/h2-12,14,23H,13H2,1H3,(H,24,28)/b3-2-,25-20+
InChIKeyRIDUHVZZTAYIKD-ZNCNMFBMSA-N
XLogP4.20
TPSA77.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-N-(1H-indol-5-yl)-4-pyrrol-1-ylbutanamide
CID 71706434
3,5-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571909
4-(1H-indol-5-ylamino)-4-oxobutanoic acid
CID 54867490
N-(1H-indol-5-yl)-3-oxo-3-phenylpropanamide
CID 110473206
2-(diethylsulfamoyl)-N-(1H-indol-5-yl)acetamide
CID 71984625
2,4-dichloro-N-(1H-indol-5-yl)benzamide
CID 171571914
N-(1H-indol-5-yl)-2-(oxetan-3-yl)acetamide
CID 112526005
N-(1H-indol-5-yl)-4-(propan-2-ylamino)butanamide
CID 61249519
2-(4-hydroxyphenyl)-N-(1H-indol-5-yl)acetamide
CID 110472843
N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
CID 59103523
2-amino-4-chloro-N-(1H-indol-5-yl)benzamide
CID 63110093
2-bromo-4-chloro-N-(1H-indol-5-yl)benzamide
CID 103763682

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide?
The IUPAC name of 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide (CID 170242354) is 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide.
What is the SMILES notation for 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide?
The canonical SMILES for 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide is C/C=C\C(=N/N(C=O)CC(=O)Nc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1.
What is the InChIKey of 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide?
The InChIKey is RIDUHVZZTAYIKD-ZNCNMFBMSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-2-3-20(15-4-6-17(22)7-5-15)25-26(14-27)13-21(28)24-18-8-9-19-16(12-18)10-11-23-19/h2-12,14,23H,13H2,1H3,(H,24,28)/b3-2-,25-20+.
What are the key properties of 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide?
2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide has a molecular weight of 394.86 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-[(Z)-1-(4-chlorophenyl)but-2-enylidene]amino]-formylamino]-N-(1H-indol-5-yl)acetamide is sourced from PubChem (CID 170242354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).