N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide

C22H24ClN3O — CID 91827723

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H24ClN3O/c1-2-18-19-12-16(23)8-9-20(19)25-21(18)22(27)24-17-10-11-26(14-17)13-15-6-4-3-5-7-15/h3-9,12,17,25H,2,10-11,13-14H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyMYJJVFCPCDPOSM-QGZVFWFLSA-N
MW381.91 g/mol
LogP4.39
Rot. Bonds5

About N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide (PubChem CID 91827723) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
PubChem CID91827723
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide
SMILESCCc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C22H24ClN3O/c1-2-18-19-12-16(23)8-9-20(19)25-21(18)22(27)24-17-10-11-26(14-17)13-15-6-4-3-5-7-15/h3-9,12,17,25H,2,10-11,13-14H2,1H3,(H,24,27)/t17-/m1/s1
InChIKeyMYJJVFCPCDPOSM-QGZVFWFLSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

N-(1-benzylpyrrolidin-3-yl)-5-chloro-3-ethyl-1H-indole-2-carboxamide;(E)-but-2-enedioic acid
CID 167995934
N-(1-benzylpyrrolidin-3-yl)-5-chloro-2-fluorobenzamide
CID 18156432
N-(1-benzylpiperidin-4-yl)-5-chloro-1H-indole-2-carboxamide
CID 2814764
4-acetyl-N-[(3S)-1-benzylpyrrolidin-3-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 40811412
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728
5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 118728584
N-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-1H-indole-2-carboxamide
CID 46964182
2-amino-N-(1-benzylpyrrolidin-3-yl)-2-methylpentanamide
CID 60847713
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
5-chloro-3-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 22431042

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide (CID 91827723) is N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide is CCc1c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide?
The InChIKey is MYJJVFCPCDPOSM-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-2-18-19-12-16(23)8-9-20(19)25-21(18)22(27)24-17-10-11-26(14-17)13-15-6-4-3-5-7-15/h3-9,12,17,25H,2,10-11,13-14H2,1H3,(H,24,27)/t17-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-5-chloro-3-ethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 91827723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).