N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide

C22H22ClN5O — CID 46972382

IUPACN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)NCC(c2ccccc2Cl)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C22H22ClN5O/c1-14-26-15(2)28(27-14)13-22(29)25-12-18(16-7-3-5-9-20(16)23)19-11-24-21-10-6-4-8-17(19)21/h3-11,18,24H,12-13H2,1-2H3,(H,25,29)
InChIKeyUMUGJSCHIGUZNZ-UHFFFAOYSA-N
MW407.91 g/mol
LogP3.98
Rot. Bonds6

About N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide

N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide (PubChem CID 46972382) has the molecular formula C22H22ClN5O and a molecular weight of 407.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
PubChem CID46972382
Molecular FormulaC22H22ClN5O
Molecular Weight407.91 g/mol
Exact Mass407.15
IUPAC NameN-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide
SMILESCc1nc(C)n(CC(=O)NCC(c2ccccc2Cl)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C22H22ClN5O/c1-14-26-15(2)28(27-14)13-22(29)25-12-18(16-7-3-5-9-20(16)23)19-11-24-21-10-6-4-8-17(19)21/h3-11,18,24H,12-13H2,1-2H3,(H,25,29)
InChIKeyUMUGJSCHIGUZNZ-UHFFFAOYSA-N
XLogP3.98
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-methylsulfanylacetamide
CID 51155316
ethyl 4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42911057
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 99813124
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 24634626
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]naphthalene-1-carboxamide
CID 154810722
N-[3-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-3-oxopropyl]-2-methylbenzamide
CID 24503109
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-methoxybenzamide
CID 35126826
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-3-(3-methylbutyl)-4-oxophthalazine-1-carboxamide
CID 2116251
2-(carbamoylamino)-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]propanamide
CID 18158757
N-[(2R)-2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9425337
tert-butyl N-[4-[[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutyl]carbamate
CID 55405860
(2S)-2-amino-N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-4-hydroxybutanamide
CID 166324533

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide (CID 46972382) is N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide is Cc1nc(C)n(CC(=O)NCC(c2ccccc2Cl)c2c[nH]c3ccccc23)n1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
The InChIKey is UMUGJSCHIGUZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O/c1-14-26-15(2)28(27-14)13-22(29)25-12-18(16-7-3-5-9-20(16)23)19-11-24-21-10-6-4-8-17(19)21/h3-11,18,24H,12-13H2,1-2H3,(H,25,29).
What are the key properties of N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide?
N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide has a molecular weight of 407.91 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(1H-indol-3-yl)ethyl]-2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 46972382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).