1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

C21H17ClFN3O — CID 122653688

IUPAC1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C21H17ClFN3O/c22-15-9-14(10-16(23)12-15)8-13-4-6-25-20(11-13)26-7-5-17-18(21(24)27)2-1-3-19(17)26/h1-4,6,9-12H,5,7-8H2,(H2,24,27)
InChIKeyNRTUXLLXCUHZKL-UHFFFAOYSA-N
MW381.84 g/mol
LogP4.26
Rot. Bonds4

About 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide

1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 122653688) has the molecular formula C21H17ClFN3O and a molecular weight of 381.84 g/mol. Its IUPAC name is 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
PubChem CID122653688
Molecular FormulaC21H17ClFN3O
Molecular Weight381.84 g/mol
Exact Mass381.10
IUPAC Name1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C21H17ClFN3O/c22-15-9-14(10-16(23)12-15)8-13-4-6-25-20(11-13)26-7-5-17-18(21(24)27)2-1-3-19(17)26/h1-4,6,9-12H,5,7-8H2,(H2,24,27)
InChIKeyNRTUXLLXCUHZKL-UHFFFAOYSA-N
XLogP4.26
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.84
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653624
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-N-pyridin-4-yl-2,3-dihydroindole-4-carboxamide
CID 122653603
1-[4-[(3-fluoro-4-hydroxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653637
1-[4-[(4-fluoro-3-methoxyphenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653721
1-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653689
1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653452
N-propyl-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181565
[1-[4-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindol-4-yl]-(methylamino)methanol
CID 129214783
1-[2-[(3,4,5-trifluorophenyl)methyl]-4-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 145181575
1-[4-(1-benzofuran-5-ylmethyl)-2-pyridinyl]-2,3-dihydroindole-4-carboxylic acid
CID 122653411
N-[5-(methylamino)-5-oxopentyl]-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122660770
N-(2-imidazol-1-ylethyl)-1-[4-[(3,4,5-trifluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide
CID 122653586

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide (CID 122653688) is 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is NC(=O)c1cccc2c1CCN2c1cc(Cc2cc(F)cc(Cl)c2)ccn1.
What is the InChIKey of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is NRTUXLLXCUHZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O/c22-15-9-14(10-16(23)12-15)8-13-4-6-25-20(11-13)26-7-5-17-18(21(24)27)2-1-3-19(17)26/h1-4,6,9-12H,5,7-8H2,(H2,24,27).
What are the key properties of 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide?
1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 381.84 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-chloro-5-fluorophenyl)methyl]-2-pyridinyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 122653688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).