N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide

C19H16N2O4 — CID 97213478

IUPACN-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide
SMILESCOc1ccc([C@H](C#N)NC(=O)c2coc3ccccc23)c(OC)c1
InChIInChI=1S/C19H16N2O4/c1-23-12-7-8-14(18(9-12)24-2)16(10-20)21-19(22)15-11-25-17-6-4-3-5-13(15)17/h3-9,11,16H,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyCVLUUZVYJVTOSN-INIZCTEOSA-N
MW336.35 g/mol
LogP3.44
Rot. Bonds5

About N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide

N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide (PubChem CID 97213478) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide
PubChem CID97213478
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC NameN-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide
SMILESCOc1ccc([C@H](C#N)NC(=O)c2coc3ccccc23)c(OC)c1
InChIInChI=1S/C19H16N2O4/c1-23-12-7-8-14(18(9-12)24-2)16(10-20)21-19(22)15-11-25-17-6-4-3-5-13(15)17/h3-9,11,16H,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyCVLUUZVYJVTOSN-INIZCTEOSA-N
XLogP3.44
TPSA84.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(S)-cyano-(2-methylphenyl)methyl]-2,5-dimethoxybenzamide
CID 95769630
2-(2,4-dimethoxyphenyl)-2-(propan-2-ylamino)acetonitrile
CID 43151527
N-[(R)-cyano-(2-methoxyphenyl)methyl]-5-methoxy-1H-indole-2-carboxamide
CID 99790517
2-(2,4-dimethoxyphenyl)-2-[(1-hydroxy-2-methylpropan-2-yl)amino]acetonitrile
CID 112500804
N-[(R)-cyano-(2-methoxyphenyl)methyl]-2-(trifluoromethyl)pyridine-3-carboxamide
CID 99793440
2-(2,4-dimethoxyphenyl)-2-(prop-2-enylamino)acetonitrile
CID 62355470
2-(2,4-dimethoxyphenyl)-3-oxobutanenitrile
CID 18406989
N-[(2R)-1-aminopropan-2-yl]-1-benzofuran-3-carboxamide
CID 104872934
N-[(R)-cyano-(2-methoxyphenyl)methyl]-3-methoxythiophene-2-carboxamide
CID 96549376
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
N-(4-chloro-1-methoxybutan-2-yl)-1-benzofuran-3-carboxamide
CID 106155716
N-[5-cyano-2-(2-methoxyethoxy)phenyl]-1-benzofuran-3-carboxamide
CID 75503520

Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide (CID 97213478) is N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide is COc1ccc([C@H](C#N)NC(=O)c2coc3ccccc23)c(OC)c1.
What is the InChIKey of N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide?
The InChIKey is CVLUUZVYJVTOSN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-23-12-7-8-14(18(9-12)24-2)16(10-20)21-19(22)15-11-25-17-6-4-3-5-13(15)17/h3-9,11,16H,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide?
N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyano-(2,4-dimethoxyphenyl)methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 97213478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).