(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide

C18H15Cl2NO3 — CID 2225841

IUPAC(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide
SMILESCOc1cc2c(cc1NC(=O)[C@]1(C)CC1(Cl)Cl)oc1ccccc12
InChIInChI=1S/C18H15Cl2NO3/c1-17(9-18(17,19)20)16(22)21-12-8-14-11(7-15(12)23-2)10-5-3-4-6-13(10)24-14/h3-8H,9H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyIMEPLWOWPFSZGR-KRWDZBQOSA-N
MW364.23 g/mol
LogP5.12
Rot. Bonds3

About (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide

(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide (PubChem CID 2225841) has the molecular formula C18H15Cl2NO3 and a molecular weight of 364.23 g/mol. Its IUPAC name is (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide
PubChem CID2225841
Molecular FormulaC18H15Cl2NO3
Molecular Weight364.23 g/mol
Exact Mass363.04
IUPAC Name(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide
SMILESCOc1cc2c(cc1NC(=O)[C@]1(C)CC1(Cl)Cl)oc1ccccc12
InChIInChI=1S/C18H15Cl2NO3/c1-17(9-18(17,19)20)16(22)21-12-8-14-11(7-15(12)23-2)10-5-3-4-6-13(10)24-14/h3-8H,9H2,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyIMEPLWOWPFSZGR-KRWDZBQOSA-N
XLogP5.12
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.23
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(5S,7R)-3-chloro-N-(2-methoxydibenzofuran-3-yl)adamantane-1-carboxamide
CID 7962448
N-(2-methoxydibenzofuran-3-yl)-1-phenylcyclopropane-1-carboxamide
CID 9098188
(3S)-N-(2-methoxydibenzofuran-3-yl)-3-methyl-1-oxo-4H-isochromene-3-carboxamide
CID 8573037
1-ethyl-3-(2-methoxydibenzofuran-3-yl)urea
CID 86976519
2-hydroxy-N-(2-methoxydibenzofuran-3-yl)cyclopentane-1-carboxamide
CID 110013791
1-(2-methoxydibenzofuran-3-yl)-3-[[4-(methoxymethyl)phenyl]methyl]urea
CID 55696455
N-(2-methoxydibenzofuran-3-yl)-5-methylthiophene-3-carboxamide
CID 2971310
2-[2-[(2-methoxydibenzofuran-3-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 2401504
2-(1-adamantyl)-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 5144773
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
N-(2-methoxydibenzofuran-3-yl)-3,3-diphenylpropanamide
CID 2935191
(2E,4E)-N-(2-methoxydibenzofuran-3-yl)hexa-2,4-dienamide
CID 26664579

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide (CID 2225841) is (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide is COc1cc2c(cc1NC(=O)[C@]1(C)CC1(Cl)Cl)oc1ccccc12.
What is the InChIKey of (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide?
The InChIKey is IMEPLWOWPFSZGR-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H15Cl2NO3/c1-17(9-18(17,19)20)16(22)21-12-8-14-11(7-15(12)23-2)10-5-3-4-6-13(10)24-14/h3-8H,9H2,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide?
(1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide has a molecular weight of 364.23 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dichloro-N-(2-methoxydibenzofuran-3-yl)-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 2225841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).