2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine

C24H21ClF4N2O4 — CID 156856090

IUPAC2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine
SMILESCN.NC(=O)c1ccc(OC(F)(F)CO)c(F)c1-c1c(Cl)c(F)cc2c1CC(c1ccccc1)O2
InChIInChI=1S/C23H16ClF4NO4.CH5N/c24-20-14(25)9-17-13(8-16(32-17)11-4-2-1-3-5-11)18(20)19-12(22(29)31)6-7-15(21(19)26)33-23(27,28)10-30;1-2/h1-7,9,16,30H,8,10H2,(H2,29,31);2H2,1H3
InChIKeyLSZFTUWSZPBELV-UHFFFAOYSA-N
MW512.89 g/mol
LogP4.60
Rot. Bonds6

About 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine

2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine (PubChem CID 156856090) has the molecular formula C24H21ClF4N2O4 and a molecular weight of 512.89 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine
PubChem CID156856090
Molecular FormulaC24H21ClF4N2O4
Molecular Weight512.89 g/mol
Exact Mass512.11
IUPAC Name2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine
SMILESCN.NC(=O)c1ccc(OC(F)(F)CO)c(F)c1-c1c(Cl)c(F)cc2c1CC(c1ccccc1)O2
InChIInChI=1S/C23H16ClF4NO4.CH5N/c24-20-14(25)9-17-13(8-16(32-17)11-4-2-1-3-5-11)18(20)19-12(22(29)31)6-7-15(21(19)26)33-23(27,28)10-30;1-2/h1-7,9,16,30H,8,10H2,(H2,29,31);2H2,1H3
InChIKeyLSZFTUWSZPBELV-UHFFFAOYSA-N
XLogP4.60
TPSA107.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.89
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2S)-2-(aminomethyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide
CID 157340416
2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-3,4-difluorobenzaldehyde
CID 156856244
methyl N-tert-butyl-N-[[4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methyl]carbamate
CID 156855513
2-[5-chloro-2-[(cyclopropylmethylamino)methyl]-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-4-(difluoromethoxy)-3-fluorobenzamide
CID 156855703
[(2S)-4-(6-carbamoyl-2-fluoro-3-methoxyphenyl)-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-2-yl]methyl-methylcarbamic acid
CID 166749067
2-[5-chloro-6-fluoro-2-[[[3-(2-hydroxypropan-2-yl)cyclobutyl]amino]methyl]-2-phenyl-3H-1-benzofuran-4-yl]-4-(difluoromethoxy)-3-fluorobenzamide
CID 156855839
2-[(2S)-5-chloro-6-fluoro-2-[[(4-hydroxycyclohexyl)amino]methyl]-2-phenyl-3H-1-benzofuran-4-yl]-4-ethoxy-3-fluorobenzamide
CID 156855391
2-[(2S)-5-chloro-6-fluoro-2-[[[4-(methanesulfonamido)cyclohexyl]amino]methyl]-2-phenyl-3H-1-benzofuran-4-yl]-4-(difluoromethoxy)-3-fluorobenzamide
CID 156855508
2-[(2S)-2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-4-(difluoromethoxy)-3-fluorobenzamide
CID 162126135
2-[(2S)-5-chloro-2-[[[3-(difluoromethyl)cyclobutyl]amino]methyl]-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-3-fluoro-4-(2-hydroxyethoxy)benzamide
CID 160657913
2-[2-[[(1-acetylpiperidin-4-yl)amino]methyl]-5-chloro-6-fluoro-2-phenyl-3H-1-benzofuran-4-yl]-4-(difluoromethoxy)-3-fluorobenzamide
CID 156855472
2-[5-chloro-6-fluoro-2-(6-oxo-1H-pyridin-2-yl)-2,3-dihydro-1H-inden-4-yl]-3-fluoro-4-methoxybenzamide
CID 156856206

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine?
The IUPAC name of 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine (CID 156856090) is 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine.
What is the SMILES notation for 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine?
The canonical SMILES for 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine is CN.NC(=O)c1ccc(OC(F)(F)CO)c(F)c1-c1c(Cl)c(F)cc2c1CC(c1ccccc1)O2.
What is the InChIKey of 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine?
The InChIKey is LSZFTUWSZPBELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClF4NO4.CH5N/c24-20-14(25)9-17-13(8-16(32-17)11-4-2-1-3-5-11)18(20)19-12(22(29)31)6-7-15(21(19)26)33-23(27,28)10-30;1-2/h1-7,9,16,30H,8,10H2,(H2,29,31);2H2,1H3.
What are the key properties of 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine?
2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine has a molecular weight of 512.89 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-2-phenyl-2,3-dihydro-1-benzofuran-4-yl)-4-(1,1-difluoro-2-hydroxyethoxy)-3-fluorobenzamide;methanamine is sourced from PubChem (CID 156856090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).