N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide

C27H26ClN3O4 — CID 60567548

IUPACN-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C27H26ClN3O4/c1-3-34-24-16-22(30-27(33)19-8-6-5-7-9-19)25(35-4-2)15-21(24)29-26(32)17-31-13-12-18-10-11-20(28)14-23(18)31/h5-16H,3-4,17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyHOFNYIAPSOQYDB-UHFFFAOYSA-N
MW491.98 g/mol
LogP5.98
Rot. Bonds9

About N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide

N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide (PubChem CID 60567548) has the molecular formula C27H26ClN3O4 and a molecular weight of 491.98 g/mol. Its IUPAC name is N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide
PubChem CID60567548
Molecular FormulaC27H26ClN3O4
Molecular Weight491.98 g/mol
Exact Mass491.16
IUPAC NameN-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide
SMILESCCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C27H26ClN3O4/c1-3-34-24-16-22(30-27(33)19-8-6-5-7-9-19)25(35-4-2)15-21(24)29-26(32)17-31-13-12-18-10-11-20(28)14-23(18)31/h5-16H,3-4,17H2,1-2H3,(H,29,32)(H,30,33)
InChIKeyHOFNYIAPSOQYDB-UHFFFAOYSA-N
XLogP5.98
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.98
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-benzamido-2,5-diethoxyphenyl)benzamide
CID 1147279
2-(7-chloro-4-oxoquinolin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 100738706
N-[4-(3-aminopropanoylamino)-2,5-diethoxyphenyl]benzamide;hydrochloride
CID 119265923
N-(2-ethoxy-4-methylphenyl)-2-indol-1-ylacetamide
CID 87047149
N-[4-[[2-(7-chloro-4-oxoquinazolin-3-yl)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 24528389
N-[2,5-diethoxy-4-[[2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]phenyl]benzamide
CID 24594346
2-(6-chloroindol-1-yl)-N-pentan-3-ylacetamide
CID 47365850
N-[4-[3-(2,5-difluorophenyl)propanoylamino]-2,5-diethoxyphenyl]benzamide
CID 52734652
N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
CID 61061489
N-(4-benzamido-2,5-diethoxyphenyl)-2-methylbenzamide
CID 1051986
2-(6-chloroindol-1-yl)-N-(3-methylphenyl)acetamide
CID 115590570
N-(4-benzamido-2,5-diethoxyphenyl)-4-fluoro-3-(trifluoromethyl)benzamide
CID 60594400

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide?
The IUPAC name of N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide (CID 60567548) is N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide?
The canonical SMILES for N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide is CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide?
The InChIKey is HOFNYIAPSOQYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O4/c1-3-34-24-16-22(30-27(33)19-8-6-5-7-9-19)25(35-4-2)15-21(24)29-26(32)17-31-13-12-18-10-11-20(28)14-23(18)31/h5-16H,3-4,17H2,1-2H3,(H,29,32)(H,30,33).
What are the key properties of N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide?
N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide has a molecular weight of 491.98 g/mol, XLogP of 5.98, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(6-chloroindol-1-yl)acetyl]amino]-2,5-diethoxyphenyl]benzamide is sourced from PubChem (CID 60567548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).