N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide

C19H15NO3 — CID 9366960

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C19H15NO3/c1-12(17-10-13-6-2-4-8-15(13)22-17)20-19(21)18-11-14-7-3-5-9-16(14)23-18/h2-12H,1H3,(H,20,21)/t12-/m0/s1
InChIKeyDGLVIWCRLKMXMM-LBPRGKRZSA-N
MW305.33 g/mol
LogP4.67
Rot. Bonds3

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 9366960) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
PubChem CID9366960
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
SMILESC[C@H](NC(=O)c1cc2ccccc2o1)c1cc2ccccc2o1
InChIInChI=1S/C19H15NO3/c1-12(17-10-13-6-2-4-8-15(13)22-17)20-19(21)18-11-14-7-3-5-9-16(14)23-18/h2-12H,1H3,(H,20,21)/t12-/m0/s1
InChIKeyDGLVIWCRLKMXMM-LBPRGKRZSA-N
XLogP4.67
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]furan-2-carboxamide
CID 41095457
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[(1R)-1-(4-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 39358745
N-[1-(4-carbamoylphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 123325602
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-fluorobenzamide
CID 9367947
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262
methyl 4-[[(1R)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]benzoate
CID 9367253
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]pyrazine-2-carboxamide
CID 26007494
N-(1-pyridin-3-ylethyl)-1-benzofuran-2-carboxamide
CID 47111565

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide (CID 9366960) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide is C[C@H](NC(=O)c1cc2ccccc2o1)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is DGLVIWCRLKMXMM-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H15NO3/c1-12(17-10-13-6-2-4-8-15(13)22-17)20-19(21)18-11-14-7-3-5-9-16(14)23-18/h2-12H,1H3,(H,20,21)/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9366960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).