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

C16H15BrN2O — CID 61402453

IUPAC(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccc1Br)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H15BrN2O/c17-13-7-3-1-6-12(13)10-18-16(20)15-9-11-5-2-4-8-14(11)19-15/h1-8,15,19H,9-10H2,(H,18,20)/t15-/m0/s1
InChIKeyCEMIWWDZKGXTHS-HNNXBMFYSA-N
MW331.21 g/mol
LogP3.10
Rot. Bonds3

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

(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 61402453) has the molecular formula C16H15BrN2O and a molecular weight of 331.21 g/mol. Its IUPAC name is (2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID61402453
Molecular FormulaC16H15BrN2O
Molecular Weight331.21 g/mol
Exact Mass330.04
IUPAC Name(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESO=C(NCc1ccccc1Br)[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C16H15BrN2O/c17-13-7-3-1-6-12(13)10-18-16(20)15-9-11-5-2-4-8-14(11)19-15/h1-8,15,19H,9-10H2,(H,18,20)/t15-/m0/s1
InChIKeyCEMIWWDZKGXTHS-HNNXBMFYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76895269
N-[(4-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76892488
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61165378
N-hydroxy-2,3-dihydro-1H-indole-2-carboxamide
CID 77014605
(2S)-N-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61148810
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
(2S)-N-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 61147921
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 104931831
N-(thiophen-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 76988868
3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoic acid
CID 61157648
(2S)-N-(3-bromo-2-hydroxyphenyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 81495794
N-(pyridazin-3-ylmethyl)-2,3-dihydro-1H-indole-2-carboxamide
CID 106896010

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of (2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 61402453) is (2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for (2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for (2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is O=C(NCc1ccccc1Br)[C@@H]1Cc2ccccc2N1.
What is the InChIKey of (2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is CEMIWWDZKGXTHS-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15BrN2O/c17-13-7-3-1-6-12(13)10-18-16(20)15-9-11-5-2-4-8-14(11)19-15/h1-8,15,19H,9-10H2,(H,18,20)/t15-/m0/s1.
What are the key properties of (2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide?
(2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 331.21 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-bromophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 61402453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).