N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

C18H18ClNO3 — CID 17492812

IUPACN-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO3/c1-12-2-5-14(19)11-15(12)20-18(21)7-4-13-3-6-16-17(10-13)23-9-8-22-16/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,20,21)
InChIKeyPWXAAJUKYISKCM-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.99
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (PubChem CID 17492812) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
PubChem CID17492812
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1ccc2c(c1)OCCO2
InChIInChI=1S/C18H18ClNO3/c1-12-2-5-14(19)11-15(12)20-18(21)7-4-13-3-6-16-17(10-13)23-9-8-22-16/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,20,21)
InChIKeyPWXAAJUKYISKCM-UHFFFAOYSA-N
XLogP3.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N-ethylpropanamide
CID 16574868
N-(5-chloro-2-methylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropane-1-carboxamide
CID 113198728
N-[3-chloro-2-(dimethylamino)phenyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 112825989
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-(5-chloro-2-methylphenyl)acetamide
CID 8745492
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-ethyl-2-methylphenyl)acetamide
CID 110612495
3-(1,3-benzodioxol-5-ylmethylamino)-N-(4-chloro-2-methylphenyl)propanamide
CID 109022797
N-[5-chloro-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoylamino]phenyl]furan-2-carboxamide
CID 86944385
3-(3-bromophenyl)-N-(5-chloro-2-methylphenyl)propanamide
CID 2620987
N-(4-chloro-2-fluorophenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanamide
CID 24589161
N-[1-(2,4-dichlorophenyl)ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 42925134
3-(1,3-benzodioxol-5-yl)-N-(5-chloro-2-piperidin-1-ylphenyl)propanamide
CID 16574876
N-(1,3-benzodioxol-5-ylmethyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 7585438

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide (CID 17492812) is N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is Cc1ccc(Cl)cc1NC(=O)CCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
The InChIKey is PWXAAJUKYISKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-12-2-5-14(19)11-15(12)20-18(21)7-4-13-3-6-16-17(10-13)23-9-8-22-16/h2-3,5-6,10-11H,4,7-9H2,1H3,(H,20,21).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide?
N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide has a molecular weight of 331.80 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide is sourced from PubChem (CID 17492812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).