(4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate

C23H20N2O3 — CID 10270611

IUPAC(4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate
SMILESO=C(NN1CCc2ccccc2C1)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3/c26-22(18-7-2-1-3-8-18)19-10-12-21(13-11-19)28-23(27)24-25-15-14-17-6-4-5-9-20(17)16-25/h1-13H,14-16H2,(H,24,27)
InChIKeyHUAIQRGCPXVBHD-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.98
Rot. Bonds4

About (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate

(4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate (PubChem CID 10270611) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate.

Molecular Properties

Compound Name(4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate
PubChem CID10270611
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name(4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate
SMILESO=C(NN1CCc2ccccc2C1)Oc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20N2O3/c26-22(18-7-2-1-3-8-18)19-10-12-21(13-11-19)28-23(27)24-25-15-14-17-6-4-5-9-20(17)16-25/h1-13H,14-16H2,(H,24,27)
InChIKeyHUAIQRGCPXVBHD-UHFFFAOYSA-N
XLogP3.98
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropane;3,4-dihydro-1H-isoquinolin-2-ylcarbamic acid
CID 159033782
(4-benzoylphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2407728
N-(1,3-dihydroisoindol-2-yl)benzamide
CID 3118896
phenyl N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 110349033
[4-[4-(4-benzoylphenoxy)phenoxy]phenyl]-phenylmethanone
CID 14669951
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
N-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 652836
[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]-phenylmethanone
CID 15205892
ethane;N-methyl-3,4-dihydro-1H-isoquinolin-2-amine
CID 171627514
[4-(2,3-dihydroindole-1-carbonyl)phenyl] acetate
CID 578309
(4-benzoylphenyl) 2-aminoacetate
CID 174837870
bis[4-(2-oxo-2-phenylacetyl)phenyl] benzene-1,4-dicarboxylate
CID 4643274

Frequently Asked Questions

What is the IUPAC name of (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate?
The IUPAC name of (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate (CID 10270611) is (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate.
What is the SMILES notation for (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate?
The canonical SMILES for (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate is O=C(NN1CCc2ccccc2C1)Oc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate?
The InChIKey is HUAIQRGCPXVBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c26-22(18-7-2-1-3-8-18)19-10-12-21(13-11-19)28-23(27)24-25-15-14-17-6-4-5-9-20(17)16-25/h1-13H,14-16H2,(H,24,27).
What are the key properties of (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate?
(4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate has a molecular weight of 372.42 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzoylphenyl) N-(3,4-dihydro-1H-isoquinolin-2-yl)carbamate is sourced from PubChem (CID 10270611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).