5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide

C21H23Cl2N3O — CID 24736819

IUPAC5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C21H23Cl2N3O/c22-17-3-1-15(2-4-17)14-25-10-8-19(9-11-25)24-21(27)26-12-7-16-13-18(23)5-6-20(16)26/h1-6,13,19H,7-12,14H2,(H,24,27)
InChIKeyWTVBNPZXVSWXPE-UHFFFAOYSA-N
MW404.34 g/mol
LogP4.73
Rot. Bonds3

About 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide

5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide (PubChem CID 24736819) has the molecular formula C21H23Cl2N3O and a molecular weight of 404.34 g/mol. Its IUPAC name is 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
PubChem CID24736819
Molecular FormulaC21H23Cl2N3O
Molecular Weight404.34 g/mol
Exact Mass403.12
IUPAC Name5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2cc(Cl)ccc21
InChIInChI=1S/C21H23Cl2N3O/c22-17-3-1-15(2-4-17)14-25-10-8-19(9-11-25)24-21(27)26-12-7-16-13-18(23)5-6-20(16)26/h1-6,13,19H,7-12,14H2,(H,24,27)
InChIKeyWTVBNPZXVSWXPE-UHFFFAOYSA-N
XLogP4.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-cyclohexyl-2,3-dihydroindole-1-carboxamide
CID 110747460
N-cyclopropyl-5-hydroxy-2,3-dihydroindole-1-carboxamide
CID 153363202
5-chloro-N-[1-(furan-2-ylmethylcarbamoyl)piperidin-4-yl]-2,3-dihydroindole-1-carboxamide
CID 24736716
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetamide
CID 8934702
5-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-2,3-dihydroindole-1-carboxamide
CID 24736877
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
CID 54551711
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide?
The IUPAC name of 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide (CID 24736819) is 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)N1CCc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide?
The InChIKey is WTVBNPZXVSWXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N3O/c22-17-3-1-15(2-4-17)14-25-10-8-19(9-11-25)24-21(27)26-12-7-16-13-18(23)5-6-20(16)26/h1-6,13,19H,7-12,14H2,(H,24,27).
What are the key properties of 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide?
5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide has a molecular weight of 404.34 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 24736819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).