(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide

C18H18Cl2N2O3 — CID 40797726

IUPAC(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18Cl2N2O3/c1-11(18(23)21-14-5-3-4-13(19)17(14)20)22(2)9-12-6-7-15-16(8-12)25-10-24-15/h3-8,11H,9-10H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyMFGUMDJYKCKCNU-LLVKDONJSA-N
MW381.26 g/mol
LogP4.18
Rot. Bonds5

About (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide

(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide (PubChem CID 40797726) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide
PubChem CID40797726
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide
SMILESC[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H18Cl2N2O3/c1-11(18(23)21-14-5-3-4-13(19)17(14)20)22(2)9-12-6-7-15-16(8-12)25-10-24-15/h3-8,11H,9-10H2,1-2H3,(H,21,23)/t11-/m1/s1
InChIKeyMFGUMDJYKCKCNU-LLVKDONJSA-N
XLogP4.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 51244258
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 26374871
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 8746938
N-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 51167371
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,4,6-trimethylphenyl)propanamide
CID 8747887
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3-cyanophenyl)propanamide
CID 8747232
(2R)-N-(4-acetylphenyl)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]propanamide
CID 8746326
(2R)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methoxyphenyl)propanamide
CID 9357067
3-[[1-(2,3-dichloroanilino)-1-oxopropan-2-yl]-methylamino]propanoic acid;hydrochloride
CID 119912127
(2S)-N-(1,3-benzodioxol-5-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]propanamide
CID 8517560
(2S)-N-(4-chlorophenyl)-2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 9357109
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 26374826

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide?
The IUPAC name of (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide (CID 40797726) is (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide.
What is the SMILES notation for (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide?
The canonical SMILES for (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide is C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide?
The InChIKey is MFGUMDJYKCKCNU-LLVKDONJSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-11(18(23)21-14-5-3-4-13(19)17(14)20)22(2)9-12-6-7-15-16(8-12)25-10-24-15/h3-8,11H,9-10H2,1-2H3,(H,21,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide?
(2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide has a molecular weight of 381.26 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2,3-dichlorophenyl)propanamide is sourced from PubChem (CID 40797726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).