2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide

C18H19ClN2O3 — CID 8745492

IUPAC2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19ClN2O3/c1-12-3-5-14(19)8-15(12)20-18(22)10-21(2)9-13-4-6-16-17(7-13)24-11-23-16/h3-8H,9-11H2,1-2H3,(H,20,22)
InChIKeyYRQVFCQQHCUEQP-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.45
Rot. Bonds5

About 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide

2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide (PubChem CID 8745492) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
PubChem CID8745492
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc2c(c1)OCO2
InChIInChI=1S/C18H19ClN2O3/c1-12-3-5-14(19)8-15(12)20-18(22)10-21(2)9-13-4-6-16-17(7-13)24-11-23-16/h3-8H,9-11H2,1-2H3,(H,20,22)
InChIKeyYRQVFCQQHCUEQP-UHFFFAOYSA-N
XLogP3.45
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 26374871
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 8746746
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 8748478
3-(1,3-benzodioxol-5-yl)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylpropanamide
CID 16574868
N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 7585438
N-(5-chloro-2-methylphenyl)-2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]acetamide
CID 9053943
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(5-chloro-2-fluorophenyl)acetamide
CID 46508552
2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 31380171
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 17492812
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(2-benzylphenyl)acetamide
CID 8746784
3-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109022797
2-(1,3-benzodioxol-5-yl)-N-(2,5-dichlorophenyl)acetamide
CID 41107875

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide (CID 8745492) is 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide is Cc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccc2c(c1)OCO2.
What is the InChIKey of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide?
The InChIKey is YRQVFCQQHCUEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12-3-5-14(19)8-15(12)20-18(22)10-21(2)9-13-4-6-16-17(7-13)24-11-23-16/h3-8H,9-11H2,1-2H3,(H,20,22).
What are the key properties of 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide?
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide has a molecular weight of 346.81 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 8745492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).