2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide

C22H22ClNO3 — CID 55921576

IUPAC2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NC(c1ccc2c(c1)OCCO2)C1CC1)C1CC1c1ccccc1Cl
InChIInChI=1S/C22H22ClNO3/c23-18-4-2-1-3-15(18)16-12-17(16)22(25)24-21(13-5-6-13)14-7-8-19-20(11-14)27-10-9-26-19/h1-4,7-8,11,13,16-17,21H,5-6,9-10,12H2,(H,24,25)
InChIKeyTVKFEXXGMNKRMK-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.48
Rot. Bonds5

About 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide

2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 55921576) has the molecular formula C22H22ClNO3 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide
PubChem CID55921576
Molecular FormulaC22H22ClNO3
Molecular Weight383.88 g/mol
Exact Mass383.13
IUPAC Name2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide
SMILESO=C(NC(c1ccc2c(c1)OCCO2)C1CC1)C1CC1c1ccccc1Cl
InChIInChI=1S/C22H22ClNO3/c23-18-4-2-1-3-15(18)16-12-17(16)22(25)24-21(13-5-6-13)14-7-8-19-20(11-14)27-10-9-26-19/h1-4,7-8,11,13,16-17,21H,5-6,9-10,12H2,(H,24,25)
InChIKeyTVKFEXXGMNKRMK-UHFFFAOYSA-N
XLogP4.48
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]cyclopropane-1-carboxamide
CID 55907604
cis-(1S,2R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95238057
N-[1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55889444
1-benzhydryl-3-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]urea
CID 60542651
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
CID 119213489
(4R)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 97079177
N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-4-propan-2-ylbenzamide
CID 55919900
2-(2-chlorophenyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 51291710
(2S)-N-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-2-methylbutanamide
CID 94798479
(3R)-1-N-[(S)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94651536
2-chloro-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5-nitrobenzamide
CID 60549081
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]propanoic acid
CID 119225300

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide (CID 55921576) is 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide is O=C(NC(c1ccc2c(c1)OCCO2)C1CC1)C1CC1c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is TVKFEXXGMNKRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClNO3/c23-18-4-2-1-3-15(18)16-12-17(16)22(25)24-21(13-5-6-13)14-7-8-19-20(11-14)27-10-9-26-19/h1-4,7-8,11,13,16-17,21H,5-6,9-10,12H2,(H,24,25).
What are the key properties of 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide?
2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 383.88 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 55921576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).