N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide

C24H22ClNO4 — CID 92865420

IUPACN-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide
SMILESCOc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClNO4/c1-28-21-9-2-16(3-10-21)12-20(26-24(27)18-5-7-19(25)8-6-18)13-17-4-11-22-23(14-17)30-15-29-22/h2-11,14,20H,12-13,15H2,1H3,(H,26,27)/t20-/m1/s1
InChIKeyYEBCZNYQWDUINK-HXUWFJFHSA-N
MW423.90 g/mol
LogP4.66
Rot. Bonds7

About N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide

N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide (PubChem CID 92865420) has the molecular formula C24H22ClNO4 and a molecular weight of 423.90 g/mol. Its IUPAC name is N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide
PubChem CID92865420
Molecular FormulaC24H22ClNO4
Molecular Weight423.90 g/mol
Exact Mass423.12
IUPAC NameN-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide
SMILESCOc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H22ClNO4/c1-28-21-9-2-16(3-10-21)12-20(26-24(27)18-5-7-19(25)8-6-18)13-17-4-11-22-23(14-17)30-15-29-22/h2-11,14,20H,12-13,15H2,1H3,(H,26,27)/t20-/m1/s1
InChIKeyYEBCZNYQWDUINK-HXUWFJFHSA-N
XLogP4.66
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-ethoxybenzamide
CID 92865458
4-acetamido-N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]benzamide
CID 46286319
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(dimethylamino)benzamide
CID 46286295
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-oxochromene-3-carboxamide
CID 20930276
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-2-phenylsulfanylacetamide
CID 46286318
N-[(2S)-1-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)propan-2-yl]-4-methylbenzamide
CID 92865487
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]cyclohexanecarboxamide
CID 46286311
1-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(2,4-difluorophenyl)urea
CID 46286156
1-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(2,3-dimethylphenyl)urea
CID 46286139
methyl 2-[[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]carbamoylamino]benzoate
CID 92865236
1-(1,3-benzodioxol-5-yl)propan-2-yl 4-methoxybenzoate
CID 23250623
N-[1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 46286320

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide (CID 92865420) is N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide is COc1ccc(C[C@H](Cc2ccc3c(c2)OCO3)NC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide?
The InChIKey is YEBCZNYQWDUINK-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H22ClNO4/c1-28-21-9-2-16(3-10-21)12-20(26-24(27)18-5-7-19(25)8-6-18)13-17-4-11-22-23(14-17)30-15-29-22/h2-11,14,20H,12-13,15H2,1H3,(H,26,27)/t20-/m1/s1.
What are the key properties of N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide?
N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide has a molecular weight of 423.90 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)propan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 92865420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).