N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide

C20H20ClN3O2 — CID 17272039

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H20ClN3O2/c1-2-19(25)24-16-6-3-13(4-7-16)20(26)22-10-9-14-12-23-18-8-5-15(21)11-17(14)18/h3-8,11-12,23H,2,9-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyZVSDKSDZTPWGNJ-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.14
Rot. Bonds6

About N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide (PubChem CID 17272039) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
PubChem CID17272039
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1
InChIInChI=1S/C20H20ClN3O2/c1-2-19(25)24-16-6-3-13(4-7-16)20(26)22-10-9-14-12-23-18-8-5-15(21)11-17(14)18/h3-8,11-12,23H,2,9-10H2,1H3,(H,22,26)(H,24,25)
InChIKeyZVSDKSDZTPWGNJ-UHFFFAOYSA-N
XLogP4.14
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-1-ethylpyrazole-4-carboxamide
CID 19589810
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-methoxypropanamide
CID 124607872
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-cyanophenyl)benzamide
CID 67973487
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
methyl N-[2-[2-(5-chloro-1H-indol-3-yl)ethylamino]-2-oxoethyl]carbamate
CID 71994383
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide
CID 67974683
4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide
CID 146093991

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide (CID 17272039) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide is CCC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide?
The InChIKey is ZVSDKSDZTPWGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-2-19(25)24-16-6-3-13(4-7-16)20(26)22-10-9-14-12-23-18-8-5-15(21)11-17(14)18/h3-8,11-12,23H,2,9-10H2,1H3,(H,22,26)(H,24,25).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide has a molecular weight of 369.85 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide is sourced from PubChem (CID 17272039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).