(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

C17H17FN2O — CID 61155770

IUPAC(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H17FN2O/c1-20(11-12-6-8-14(18)9-7-12)17(21)16-10-13-4-2-3-5-15(13)19-16/h2-9,16,19H,10-11H2,1H3/t16-/m0/s1
InChIKeyJOJITZNZZYOSGP-INIZCTEOSA-N
MW284.33 g/mol
LogP2.82
Rot. Bonds3

About (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide

(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61155770) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61155770
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(Cc1ccc(F)cc1)C(=O)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C17H17FN2O/c1-20(11-12-6-8-14(18)9-7-12)17(21)16-10-13-4-2-3-5-15(13)19-16/h2-9,16,19H,10-11H2,1H3/t16-/m0/s1
InChIKeyJOJITZNZZYOSGP-INIZCTEOSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-hydroxyphenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61162686
N-[(4-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76895013
N-ethyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76893209
(2S)-N-[(5-fluoro-1H-indol-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 56867081
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76894617
(2S)-N-[(2-chlorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61163671
(2S)-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61155725
N,N-dimethyl-2,3-dihydro-1H-indole-2-carboxamide
CID 18184482
3-[2,3-dihydro-1H-indole-2-carbonyl(methyl)amino]propanoic acid
CID 76914230
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
(2S)-N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 64517494
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 76894872

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide (CID 61155770) is (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is CN(Cc1ccc(F)cc1)C(=O)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is JOJITZNZZYOSGP-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17FN2O/c1-20(11-12-6-8-14(18)9-7-12)17(21)16-10-13-4-2-3-5-15(13)19-16/h2-9,16,19H,10-11H2,1H3/t16-/m0/s1.
What are the key properties of (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 284.33 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(4-fluorophenyl)methyl]-N-methyl-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61155770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).