2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide

C23H17Cl2N3O2 — CID 1493686

IUPAC2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17Cl2N3O2/c24-18-9-5-16(6-10-18)23(30,17-7-11-19(25)12-8-17)22(29)28-27-14-15-13-26-21-4-2-1-3-20(15)21/h1-14,26,30H,(H,28,29)
InChIKeyVAVVJIGUGHDWNF-UHFFFAOYSA-N
MW438.31 g/mol
LogP4.86
Rot. Bonds5

About 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide

2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide (PubChem CID 1493686) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide
PubChem CID1493686
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC Name2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H17Cl2N3O2/c24-18-9-5-16(6-10-18)23(30,17-7-11-19(25)12-8-17)22(29)28-27-14-15-13-26-21-4-2-1-3-20(15)21/h1-14,26,30H,(H,28,29)
InChIKeyVAVVJIGUGHDWNF-UHFFFAOYSA-N
XLogP4.86
TPSA77.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.31
LogP ≤ 54.86
H-Bond Donors ≤ 53
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

(2S)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide
CID 135764391
(2R)-2-hydroxy-N-[(E)-1H-indol-3-ylmethylideneamino]-2-phenylpropanamide
CID 135804480
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
2,4-dichloro-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136663043
3-chloro-N-[(E)-1H-indol-3-ylmethylideneamino]benzamide
CID 135472516
3-[(4-chlorobenzoyl)amino]-N-(1H-indol-3-ylmethylideneamino)benzamide
CID 171135949
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
2-(4-chlorophenoxy)-N-[(E)-1H-indol-3-ylmethylideneamino]acetamide
CID 135578464
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
4-amino-N-[(Z)-1H-indol-3-ylmethylideneamino]benzamide
CID 136851986
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide?
The IUPAC name of 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide (CID 1493686) is 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide is O=C(NN=Cc1c[nH]c2ccccc12)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide?
The InChIKey is VAVVJIGUGHDWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c24-18-9-5-16(6-10-18)23(30,17-7-11-19(25)12-8-17)22(29)28-27-14-15-13-26-21-4-2-1-3-20(15)21/h1-14,26,30H,(H,28,29).
What are the key properties of 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide?
2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide has a molecular weight of 438.31 g/mol, XLogP of 4.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-2-hydroxy-N-(1H-indol-3-ylmethylideneamino)acetamide is sourced from PubChem (CID 1493686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).