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

C17H17BrN2O — CID 81353032

IUPAC(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1Cc2ccccc2N1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O/c1-11(12-6-8-14(18)9-7-12)19-17(21)16-10-13-4-2-3-5-15(13)20-16/h2-9,11,16,20H,10H2,1H3,(H,19,21)/t11-,16-/m0/s1
InChIKeyFDEXKYBNQRYONO-ZBEGNZNMSA-N
MW345.24 g/mol
LogP3.66
Rot. Bonds3

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

(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 81353032) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID81353032
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESC[C@H](NC(=O)[C@@H]1Cc2ccccc2N1)c1ccc(Br)cc1
InChIInChI=1S/C17H17BrN2O/c1-11(12-6-8-14(18)9-7-12)19-17(21)16-10-13-4-2-3-5-15(13)20-16/h2-9,11,16,20H,10H2,1H3,(H,19,21)/t11-,16-/m0/s1
InChIKeyFDEXKYBNQRYONO-ZBEGNZNMSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1S)-1-(2-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81388252
(2S)-N-[1-(1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 106212683
N-[(1S)-1-(2-methylphenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81363627
(2R)-2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 54991181
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531
(2S)-N-pent-4-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 113466545
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
N-[1-(1,3-thiazol-2-yl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 77045193
N-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76892488
(2S)-N-[(1S)-1-cyclopentylethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81390006
(2S)-N-but-3-en-2-yl-2,3-dihydro-1H-indole-2-carboxamide
CID 104864663
(2R)-N-[1-(4-bromophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103795927

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 81353032) is (2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is C[C@H](NC(=O)[C@@H]1Cc2ccccc2N1)c1ccc(Br)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is FDEXKYBNQRYONO-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11(12-6-8-14(18)9-7-12)19-17(21)16-10-13-4-2-3-5-15(13)20-16/h2-9,11,16,20H,10H2,1H3,(H,19,21)/t11-,16-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-bromophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 81353032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).