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

C25H30ClN3O — CID 67974683

IUPACN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CNCC2CCCCC2)cc1
InChIInChI=1S/C25H30ClN3O/c26-22-10-11-24-23(14-22)21(17-29-24)12-13-28-25(30)20-8-6-19(7-9-20)16-27-15-18-4-2-1-3-5-18/h6-11,14,17-18,27,29H,1-5,12-13,15-16H2,(H,28,30)
InChIKeyVFCVOIQTBWJNJT-UHFFFAOYSA-N
MW423.99 g/mol
LogP5.46
Rot. Bonds8

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

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide (PubChem CID 67974683) has the molecular formula C25H30ClN3O and a molecular weight of 423.99 g/mol. Its IUPAC name is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide
PubChem CID67974683
Molecular FormulaC25H30ClN3O
Molecular Weight423.99 g/mol
Exact Mass423.21
IUPAC NameN-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide
SMILESO=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CNCC2CCCCC2)cc1
InChIInChI=1S/C25H30ClN3O/c26-22-10-11-24-23(14-22)21(17-29-24)12-13-28-25(30)20-8-6-19(7-9-20)16-27-15-18-4-2-1-3-5-18/h6-11,14,17-18,27,29H,1-5,12-13,15-16H2,(H,28,30)
InChIKeyVFCVOIQTBWJNJT-UHFFFAOYSA-N
XLogP5.46
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.99
LogP ≤ 55.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 67974603
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
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
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039
2-(5-chloro-1H-indol-3-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 113209503
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-iodobenzamide
CID 17271850
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119706636
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 119706622
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111508554
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(2-cyanophenyl)benzamide
CID 67973487
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-fluoro-4-[(3-fluorophenyl)methyl]benzamide
CID 67974093

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide?
The IUPAC name of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide (CID 67974683) is N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide.
What is the SMILES notation for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide?
The canonical SMILES for N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide is O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1ccc(CNCC2CCCCC2)cc1.
What is the InChIKey of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide?
The InChIKey is VFCVOIQTBWJNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN3O/c26-22-10-11-24-23(14-22)21(17-29-24)12-13-28-25(30)20-8-6-19(7-9-20)16-27-15-18-4-2-1-3-5-18/h6-11,14,17-18,27,29H,1-5,12-13,15-16H2,(H,28,30).
What are the key properties of N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide?
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-[(cyclohexylmethylamino)methyl]benzamide has a molecular weight of 423.99 g/mol, XLogP of 5.46, 8 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-[(cyclohexylmethylamino)methyl]benzamide is sourced from PubChem (CID 67974683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).