3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide

C26H23ClN4O3 — CID 72514126

IUPAC3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESCN(C)c1ccc(CC(=O)n2ccc3c(C=NNC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1
InChIInChI=1S/C26H23ClN4O3/c1-30(2)20-9-6-17(7-10-20)14-25(33)31-13-12-21-19(4-3-5-23(21)31)16-28-29-26(34)18-8-11-24(32)22(27)15-18/h3-13,15-16,32H,14H2,1-2H3,(H,29,34)
InChIKeyACCQAWIAABQJFO-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.71
Rot. Bonds6

About 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide

3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide (PubChem CID 72514126) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
PubChem CID72514126
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
SMILESCN(C)c1ccc(CC(=O)n2ccc3c(C=NNC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1
InChIInChI=1S/C26H23ClN4O3/c1-30(2)20-9-6-17(7-10-20)14-25(33)31-13-12-21-19(4-3-5-23(21)31)16-28-29-26(34)18-8-11-24(32)22(27)15-18/h3-13,15-16,32H,14H2,1-2H3,(H,29,34)
InChIKeyACCQAWIAABQJFO-UHFFFAOYSA-N
XLogP4.71
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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-chloro-N-[(E)-[1-(4-fluorobenzoyl)indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 59091883
methyl 4-[[4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]indol-1-yl]methyl]benzoate
CID 154682754
3-chloro-4-hydroxy-N-[(E)-[1-[(2-methylphenyl)methyl]indol-4-yl]methylideneamino]benzamide
CID 172956866
3-chloro-N-[(E)-[1-[2-(diethylamino)-2-oxoethyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 10873618
3-chloro-N-[(E)-[1-[(4-cyanophenyl)methyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 154682763
3-chloro-4-hydroxy-N-[[1-(1-phenylethyl)indol-4-yl]methylideneamino]benzamide
CID 72514536
3-chloro-4-hydroxy-N-[[5-(pyrrolidin-1-ylmethyl)naphthalen-1-yl]methylideneamino]benzamide
CID 72514526
3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide
CID 75047403
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
3-chloro-4-hydroxy-N-[[4-[2-[3-(N-methylanilino)propylamino]-2-oxoethyl]naphthalen-1-yl]methylideneamino]benzamide
CID 72513893
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
4-[(E)-[(3-chloro-4-hydroxybenzoyl)hydrazinylidene]methyl]-N-methyl-N-(naphthalen-1-ylmethyl)naphthalene-1-carboxamide
CID 59092095

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide (CID 72514126) is 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide is CN(C)c1ccc(CC(=O)n2ccc3c(C=NNC(=O)c4ccc(O)c(Cl)c4)cccc32)cc1.
What is the InChIKey of 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is ACCQAWIAABQJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-30(2)20-9-6-17(7-10-20)14-25(33)31-13-12-21-19(4-3-5-23(21)31)16-28-29-26(34)18-8-11-24(32)22(27)15-18/h3-13,15-16,32H,14H2,1-2H3,(H,29,34).
What are the key properties of 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide?
3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 474.95 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 72514126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).