2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide

C21H19FN2O2 — CID 121481165

IUPAC2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2F)oc2cc3c(cc12)C(C)=CCCN3
InChIInChI=1S/C21H19FN2O2/c1-12-6-5-9-24-17-11-18-15(10-14(12)17)19(21(25)23-2)20(26-18)13-7-3-4-8-16(13)22/h3-4,6-8,10-11,24H,5,9H2,1-2H3,(H,23,25)
InChIKeyZYYKMVWXKVGBCC-UHFFFAOYSA-N
MW350.39 g/mol
LogP4.82
Rot. Bonds2

About 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide

2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide (PubChem CID 121481165) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide
PubChem CID121481165
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC Name2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccccc2F)oc2cc3c(cc12)C(C)=CCCN3
InChIInChI=1S/C21H19FN2O2/c1-12-6-5-9-24-17-11-18-15(10-14(12)17)19(21(25)23-2)20(26-18)13-7-3-4-8-16(13)22/h3-4,6-8,10-11,24H,5,9H2,1-2H3,(H,23,25)
InChIKeyZYYKMVWXKVGBCC-UHFFFAOYSA-N
XLogP4.82
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide with MolForge

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Related Compounds

2-(4-fluorophenyl)-N,5-dimethyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxamide
CID 121481081
2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid
CID 121481080
N,5-dimethyl-2-phenyl-1-benzofuran-3-carboxamide
CID 10333083
2-[8-(4-fluorophenyl)-5-methyl-7-(methylcarbamoyl)-1,2,3,5-tetrahydrofuro[3,2-h][1,4]benzodiazepin-4-yl]acetic acid
CID 121481093
2-(4-fluorophenyl)-N-methyl-6-[methylsulfonyl(prop-2-enyl)amino]-5-phenyl-1-benzofuran-3-carboxamide
CID 53378508
5-acetyl-2-(4-fluorophenyl)-N,6-dimethyl-1-benzofuran-3-carboxamide
CID 70800629
6-(4-fluorophenyl)-N,17,17-trimethyl-13-methylidene-19-oxo-7,15-dioxa-11,18-diazatetracyclo[18.3.1.02,10.04,8]tetracosa-1(24),2(10),3,5,8,20,22-heptaene-5-carboxamide
CID 77107271
2-amino-5-(2-fluorophenyl)-N,4-dimethylthiophene-3-carboxamide
CID 114830937
5-(4-cyanophenyl)-6-(ethylsulfonylamino)-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 71140107
2-(2,4-difluorophenyl)-N-methyl-5-methylidene-9-methylsulfonyl-7,8-dihydro-6H-furo[3,2-h][1]benzazepine-3-carboxamide
CID 57330300
ethyl 2-fluoro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoate
CID 59275762
2-(4-fluorophenyl)-5-(3-formylphenyl)-N-methyl-6-propyl-1-benzofuran-3-carboxamide;methanol
CID 144727279

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide?
The IUPAC name of 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide (CID 121481165) is 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide?
The canonical SMILES for 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide is CNC(=O)c1c(-c2ccccc2F)oc2cc3c(cc12)C(C)=CCCN3.
What is the InChIKey of 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide?
The InChIKey is ZYYKMVWXKVGBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-12-6-5-9-24-17-11-18-15(10-14(12)17)19(21(25)23-2)20(26-18)13-7-3-4-8-16(13)22/h3-4,6-8,10-11,24H,5,9H2,1-2H3,(H,23,25).
What are the key properties of 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide?
2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N,5-dimethyl-8,9-dihydro-7H-furo[3,2-h][1]benzazepine-3-carboxamide is sourced from PubChem (CID 121481165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).