N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid

C30H28Cl2F3N3O4 — CID 44535923

IUPACN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H27Cl2N3O2.C2HF3O2/c1-35-27-15-19(25-14-20-13-23(29)24(30)16-26(20)32-25)7-8-22(27)28(34)31-21-9-11-33(12-10-21)17-18-5-3-2-4-6-18;3-2(4,5)1(6)7/h2-8,13-16,21,32H,9-12,17H2,1H3,(H,31,34);(H,6,7)
InChIKeyMISAUGUUWPTVFA-UHFFFAOYSA-N
MW622.47 g/mol
LogP7.18
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid

N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid (PubChem CID 44535923) has the molecular formula C30H28Cl2F3N3O4 and a molecular weight of 622.47 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid
PubChem CID44535923
Molecular FormulaC30H28Cl2F3N3O4
Molecular Weight622.47 g/mol
Exact Mass621.14
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C28H27Cl2N3O2.C2HF3O2/c1-35-27-15-19(25-14-20-13-23(29)24(30)16-26(20)32-25)7-8-22(27)28(34)31-21-9-11-33(12-10-21)17-18-5-3-2-4-6-18;3-2(4,5)1(6)7/h2-8,13-16,21,32H,9-12,17H2,1H3,(H,31,34);(H,6,7)
InChIKeyMISAUGUUWPTVFA-UHFFFAOYSA-N
XLogP7.18
TPSA94.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.47
LogP ≤ 57.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid (CID 44535923) is N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid is COc1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1C(=O)NC1CCN(Cc2ccccc2)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is MISAUGUUWPTVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2N3O2.C2HF3O2/c1-35-27-15-19(25-14-20-13-23(29)24(30)16-26(20)32-25)7-8-22(27)28(34)31-21-9-11-33(12-10-21)17-18-5-3-2-4-6-18;3-2(4,5)1(6)7/h2-8,13-16,21,32H,9-12,17H2,1H3,(H,31,34);(H,6,7).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid?
N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 622.47 g/mol, XLogP of 7.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-(5,6-dichloro-1H-indol-2-yl)-2-methoxybenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44535923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).