4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide

C23H17Cl2N3O2 — CID 86885238

IUPAC4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C23H17Cl2N3O2/c24-16-7-8-18-15(13-26-20(18)12-16)11-22(29)28-21-10-14(6-9-19(21)25)23(30)27-17-4-2-1-3-5-17/h1-10,12-13,26H,11H2,(H,27,30)(H,28,29)
InChIKeyMDSITTJETMVHND-UHFFFAOYSA-N
MW438.31 g/mol
LogP5.91
Rot. Bonds5

About 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide

4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide (PubChem CID 86885238) has the molecular formula C23H17Cl2N3O2 and a molecular weight of 438.31 g/mol. Its IUPAC name is 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide.

Molecular Properties

Compound Name4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide
PubChem CID86885238
Molecular FormulaC23H17Cl2N3O2
Molecular Weight438.31 g/mol
Exact Mass437.07
IUPAC Name4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide
SMILESO=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl
InChIInChI=1S/C23H17Cl2N3O2/c24-16-7-8-18-15(13-26-20(18)12-16)11-22(29)28-21-10-14(6-9-19(21)25)23(30)27-17-4-2-1-3-5-17/h1-10,12-13,26H,11H2,(H,27,30)(H,28,29)
InChIKeyMDSITTJETMVHND-UHFFFAOYSA-N
XLogP5.91
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.31
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-chloro-1H-indol-3-yl)-N-(2-cyanophenyl)acetamide
CID 110864641
2-(6-chloro-1H-indol-3-yl)-N-(4-chloro-2-methylphenyl)acetamide
CID 113209805
2-(6-chloro-1H-indol-3-yl)-N-(2,3-dimethylphenyl)acetamide
CID 113209792
2-[[4-chloro-3-[(2-phenylacetyl)amino]benzoyl]amino]benzoic acid
CID 17361903
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
2-(6-chloro-1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 113209736
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(1H-indol-3-yl)acetamide
CID 113098868
4-chloro-3-[[2-(4-chlorophenyl)acetyl]amino]benzamide
CID 50875886
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 54839125
methyl 4-chloro-3-[3-(1H-indol-3-yl)propanoylamino]benzoate
CID 29454881
methyl 4-chloro-3-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]benzoate
CID 113209690
N-[2-chloro-5-(phenylcarbamoyl)phenyl]-2,3,4,5,6-pentamethylbenzamide
CID 2250223

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide?
The IUPAC name of 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide (CID 86885238) is 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide.
What is the SMILES notation for 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide?
The canonical SMILES for 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide is O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide?
The InChIKey is MDSITTJETMVHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2N3O2/c24-16-7-8-18-15(13-26-20(18)12-16)11-22(29)28-21-10-14(6-9-19(21)25)23(30)27-17-4-2-1-3-5-17/h1-10,12-13,26H,11H2,(H,27,30)(H,28,29).
What are the key properties of 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide?
4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide has a molecular weight of 438.31 g/mol, XLogP of 5.91, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[2-(6-chloro-1H-indol-3-yl)acetyl]amino]-N-phenylbenzamide is sourced from PubChem (CID 86885238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).