N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide

C22H24ClN3O — CID 60553433

IUPACN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C22H24ClN3O/c1-15-21(18-9-2-3-10-19(18)25-15)22(27)24-14-20(26-11-4-5-12-26)16-7-6-8-17(23)13-16/h2-3,6-10,13,20,25H,4-5,11-12,14H2,1H3,(H,24,27)
InChIKeyQZVJHTDDYJEHEL-UHFFFAOYSA-N
MW381.91 g/mol
LogP4.70
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide (PubChem CID 60553433) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide
PubChem CID60553433
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC NameN-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccccc2c1C(=O)NCC(c1cccc(Cl)c1)N1CCCC1
InChIInChI=1S/C22H24ClN3O/c1-15-21(18-9-2-3-10-19(18)25-15)22(27)24-14-20(26-11-4-5-12-26)16-7-6-8-17(23)13-16/h2-3,6-10,13,20,25H,4-5,11-12,14H2,1H3,(H,24,27)
InChIKeyQZVJHTDDYJEHEL-UHFFFAOYSA-N
XLogP4.70
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2,6-dimethoxybenzamide
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N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-methyl-1H-indol-3-yl)-2-oxoacetamide
CID 46604603
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3,4-dimethylbenzamide
CID 112506811
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 55658973
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]quinoline-4-carboxamide
CID 112821597
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 55763588
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
(2R)-2-amino-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 119849472
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 110623981
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylsulfonylpyridine-2-carboxamide
CID 167843424
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-6-methyl-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 166262730
3-chloro-N-[2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide (CID 60553433) is N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccccc2c1C(=O)NCC(c1cccc(Cl)c1)N1CCCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide?
The InChIKey is QZVJHTDDYJEHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-15-21(18-9-2-3-10-19(18)25-15)22(27)24-14-20(26-11-4-5-12-26)16-7-6-8-17(23)13-16/h2-3,6-10,13,20,25H,4-5,11-12,14H2,1H3,(H,24,27).
What are the key properties of N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide?
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 60553433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).