N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C19H21FN2O2 — CID 71893209

IUPACN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1F
InChIInChI=1S/C19H21FN2O2/c1-12(2)22(3)17-6-5-15(11-16(17)20)21-19(23)14-4-7-18-13(10-14)8-9-24-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,23)
InChIKeySYUVDKBYRGSUBM-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.86
Rot. Bonds4

About N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 71893209) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID71893209
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(C)N(C)c1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1F
InChIInChI=1S/C19H21FN2O2/c1-12(2)22(3)17-6-5-15(11-16(17)20)21-19(23)14-4-7-18-13(10-14)8-9-24-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,23)
InChIKeySYUVDKBYRGSUBM-UHFFFAOYSA-N
XLogP3.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55891126
N-(2,3-dihydro-1-benzofuran-5-yl)-4-(dimethylamino)benzamide
CID 38558648
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-5-iodothiophene-3-carboxamide
CID 79691661
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(dimethylamino)benzamide
CID 34441263
N-[4-(aminomethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62198465
N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)benzoate
CID 110693467
N-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 38559127
N-[4-(2-amino-2-oxoethyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 31862131
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 71893209) is N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is CC(C)N(C)c1ccc(NC(=O)c2ccc3c(c2)CCO3)cc1F.
What is the InChIKey of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is SYUVDKBYRGSUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-12(2)22(3)17-6-5-15(11-16(17)20)21-19(23)14-4-7-18-13(10-14)8-9-24-18/h4-7,10-12H,8-9H2,1-3H3,(H,21,23).
What are the key properties of N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[methyl(propan-2-yl)amino]phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 71893209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).