5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide

C20H17ClN2O2 — CID 41010023

IUPAC5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C20H17ClN2O2/c1-12(8-14-11-22-17-5-3-2-4-16(14)17)23-20(24)19-10-13-9-15(21)6-7-18(13)25-19/h2-7,9-12,22H,8H2,1H3,(H,23,24)/t12-/m0/s1
InChIKeyRSBAEABLHUAMBY-LBPRGKRZSA-N
MW352.82 g/mol
LogP4.93
Rot. Bonds4

About 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide

5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 41010023) has the molecular formula C20H17ClN2O2 and a molecular weight of 352.82 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide
PubChem CID41010023
Molecular FormulaC20H17ClN2O2
Molecular Weight352.82 g/mol
Exact Mass352.10
IUPAC Name5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide
SMILESC[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(Cl)ccc2o1
InChIInChI=1S/C20H17ClN2O2/c1-12(8-14-11-22-17-5-3-2-4-16(14)17)23-20(24)19-10-13-9-15(21)6-7-18(13)25-19/h2-7,9-12,22H,8H2,1H3,(H,23,24)/t12-/m0/s1
InChIKeyRSBAEABLHUAMBY-LBPRGKRZSA-N
XLogP4.93
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-2-ylmethylamino)-N-[1-(4-chlorophenyl)propan-2-yl]-3-(1H-indol-3-yl)propanamide
CID 18409526
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40819780
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
methyl 2-[(2,5-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 75130384
methyl 2-[(2,4-dichlorobenzoyl)amino]-3-(1H-indol-3-yl)propanoate
CID 3111811
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41091001
N-[1-(1H-indol-3-yl)propan-2-yl]-3-phenylpropanamide
CID 142880124
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide (CID 41010023) is 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide is C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is RSBAEABLHUAMBY-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H17ClN2O2/c1-12(8-14-11-22-17-5-3-2-4-16(14)17)23-20(24)19-10-13-9-15(21)6-7-18(13)25-19/h2-7,9-12,22H,8H2,1H3,(H,23,24)/t12-/m0/s1.
What are the key properties of 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide?
5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 4.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 41010023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).