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

C26H26ClN3O2 — CID 129111066

IUPAC4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(CN(C)c4cccc(Cl)c4)cc3)c2c1
InChIInChI=1S/C26H26ClN3O2/c1-30(22-5-3-4-21(27)14-22)17-18-6-8-19(9-7-18)26(31)28-13-12-20-16-29-25-11-10-23(32-2)15-24(20)25/h3-11,14-16,29H,12-13,17H2,1-2H3,(H,28,31)
InChIKeyOHBMEYAJAZVVRH-UHFFFAOYSA-N
MW447.97 g/mol
LogP5.44
Rot. Bonds8

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

4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide (PubChem CID 129111066) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
PubChem CID129111066
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCOc1ccc2[nH]cc(CCNC(=O)c3ccc(CN(C)c4cccc(Cl)c4)cc3)c2c1
InChIInChI=1S/C26H26ClN3O2/c1-30(22-5-3-4-21(27)14-22)17-18-6-8-19(9-7-18)26(31)28-13-12-20-16-29-25-11-10-23(32-2)15-24(20)25/h3-11,14-16,29H,12-13,17H2,1-2H3,(H,28,31)
InChIKeyOHBMEYAJAZVVRH-UHFFFAOYSA-N
XLogP5.44
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.97
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
CID 129111079
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
2-(3-chlorophenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733787
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
4-benzyl-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 67974521
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
N-[2-(4-chlorophenyl)ethyl]-5-methoxy-1H-indole-3-carboxamide
CID 113206005
4-acetamido-N-[2-(5-chloro-1H-indol-3-yl)ethyl]benzamide
CID 17271798
6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 146092029
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-3,4-dimethylbenzamide
CID 17271786
3-chloro-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 787235

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide (CID 129111066) is 4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide is COc1ccc2[nH]cc(CCNC(=O)c3ccc(CN(C)c4cccc(Cl)c4)cc3)c2c1.
What is the InChIKey of 4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is OHBMEYAJAZVVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-30(22-5-3-4-21(27)14-22)17-18-6-8-19(9-7-18)26(31)28-13-12-20-16-29-25-11-10-23(32-2)15-24(20)25/h3-11,14-16,29H,12-13,17H2,1-2H3,(H,28,31).
What are the key properties of 4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide?
4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 447.97 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 129111066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).