1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide

C22H18F2N2O3 — CID 121369123

IUPAC1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)oc2c(C(F)F)nccc23)c1
InChIInChI=1S/C22H18F2N2O3/c1-12(13-4-3-5-15(10-13)28-2)26-22(27)14-6-7-16-17-8-9-25-19(21(23)24)20(17)29-18(16)11-14/h3-12,21H,1-2H3,(H,26,27)/t12-/m1/s1
InChIKeyFPBXOMZZNSZCOX-GFCCVEGCSA-N
MW396.39 g/mol
LogP5.42
Rot. Bonds5

About 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide

1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide (PubChem CID 121369123) has the molecular formula C22H18F2N2O3 and a molecular weight of 396.39 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
PubChem CID121369123
Molecular FormulaC22H18F2N2O3
Molecular Weight396.39 g/mol
Exact Mass396.13
IUPAC Name1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESCOc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)oc2c(C(F)F)nccc23)c1
InChIInChI=1S/C22H18F2N2O3/c1-12(13-4-3-5-15(10-13)28-2)26-22(27)14-6-7-16-17-8-9-25-19(21(23)24)20(17)29-18(16)11-14/h3-12,21H,1-2H3,(H,26,27)/t12-/m1/s1
InChIKeyFPBXOMZZNSZCOX-GFCCVEGCSA-N
XLogP5.42
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.39
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide (CID 121369123) is 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide is COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)oc2c(C(F)F)nccc23)c1.
What is the InChIKey of 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The InChIKey is FPBXOMZZNSZCOX-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H18F2N2O3/c1-12(13-4-3-5-15(10-13)28-2)26-22(27)14-6-7-16-17-8-9-25-19(21(23)24)20(17)29-18(16)11-14/h3-12,21H,1-2H3,(H,26,27)/t12-/m1/s1.
What are the key properties of 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide has a molecular weight of 396.39 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-[1]benzofuro[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 121369123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).