N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide

C19H18ClNO5 — CID 18076874

IUPACN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C(C)Oc1ccc(Cl)cc1C)OCO2
InChIInChI=1S/C19H18ClNO5/c1-10-6-13(20)4-5-16(10)26-12(3)19(23)21-15-8-18-17(24-9-25-18)7-14(15)11(2)22/h4-8,12H,9H2,1-3H3,(H,21,23)
InChIKeyFSYBMDRTRGXTFA-UHFFFAOYSA-N
MW375.81 g/mol
LogP3.99
Rot. Bonds5

About N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide

N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide (PubChem CID 18076874) has the molecular formula C19H18ClNO5 and a molecular weight of 375.81 g/mol. Its IUPAC name is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
PubChem CID18076874
Molecular FormulaC19H18ClNO5
Molecular Weight375.81 g/mol
Exact Mass375.09
IUPAC NameN-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
SMILESCC(=O)c1cc2c(cc1NC(=O)C(C)Oc1ccc(Cl)cc1C)OCO2
InChIInChI=1S/C19H18ClNO5/c1-10-6-13(20)4-5-16(10)26-12(3)19(23)21-15-8-18-17(24-9-25-18)7-14(15)11(2)22/h4-8,12H,9H2,1-3H3,(H,21,23)
InChIKeyFSYBMDRTRGXTFA-UHFFFAOYSA-N
XLogP3.99
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 2862496
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-methylphenoxy)propanamide
CID 837344
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]-4,5-dimethoxybenzoic acid
CID 1287453
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2,5-dichlorophenyl)propanamide
CID 1371714
N-[1-(1,3-benzodioxol-5-yl)ethylideneamino]-2-(4-chloro-2-methylphenoxy)propanamide
CID 3405281
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2S)-N-(6-acetyl-1,3-benzodioxol-5-yl)-2-chloropropanamide
CID 40558372
2-(4-chloro-2-methylphenoxy)-N-(2,4-dimethylphenyl)propanamide
CID 2788084
2-(4-chloro-2-methylphenoxy)-N-(6-chloro-3-oxo-4H-1,4-benzoxazin-7-yl)propanamide
CID 43064268
N-(7-acetyl-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-methoxyphenoxy)propanamide
CID 131894546
dimethyl 2-[[(2R)-2-(4-chloro-2-methylphenoxy)propanoyl]amino]benzene-1,4-dicarboxylate
CID 1358412

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide?
The IUPAC name of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide (CID 18076874) is N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide.
What is the SMILES notation for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide?
The canonical SMILES for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide is CC(=O)c1cc2c(cc1NC(=O)C(C)Oc1ccc(Cl)cc1C)OCO2.
What is the InChIKey of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide?
The InChIKey is FSYBMDRTRGXTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO5/c1-10-6-13(20)4-5-16(10)26-12(3)19(23)21-15-8-18-17(24-9-25-18)7-14(15)11(2)22/h4-8,12H,9H2,1-3H3,(H,21,23).
What are the key properties of N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide?
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide has a molecular weight of 375.81 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(4-chloro-2-methylphenoxy)propanamide is sourced from PubChem (CID 18076874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).